 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer06_STD_B3LYPDBJ_augccpVDZ.in
 Output=31_naproxen_conformer06_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-83605.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     83606.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer06_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:57:07 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer06_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.567529000000     -0.314210000000      0.221267000000
  C                                                 1.116501000000      0.958834000000     -0.121705000000
  C                                                -0.832468000000     -0.452394000000      0.346989000000
  C                                                -1.683696000000      0.608480000000      0.142165000000
  C                                                -1.129092000000      1.866387000000     -0.201361000000
  C                                                 0.222901000000      2.038684000000     -0.327975000000
  C                                                 1.454755000000     -1.393161000000      0.424360000000
  H                                                -1.231675000000     -1.426463000000      0.608205000000
  H                                                -1.795403000000      2.705320000000     -0.363172000000
  H                                                 0.626528000000      3.008752000000     -0.590297000000
  C                                                -3.181225000000      0.455073000000      0.309625000000
  C                                                -3.596004000000      0.302981000000      1.774735000000
  C                                                -3.777838000000     -0.669365000000     -0.546498000000
  H                                                -3.650918000000      1.363909000000     -0.084442000000
  H                                                -3.157853000000     -0.597186000000      2.206387000000
  H                                                -4.678109000000      0.225656000000      1.860053000000
  H                                                -3.249256000000      1.161577000000      2.349930000000
  O                                                -4.726990000000     -1.325156000000     -0.223619000000
  O                                                -3.202213000000     -0.855212000000     -1.757282000000
  H                                                -2.391116000000     -0.328302000000     -1.815758000000
  C                                                 2.811014000000     -1.236817000000      0.299275000000
  C                                                 3.349389000000      0.027072000000     -0.040677000000
  C                                                 2.511206000000      1.099868000000     -0.246327000000
  O                                                 4.681594000000      0.258681000000     -0.182443000000
  C                                                 5.589463000000     -0.812553000000      0.016953000000
  H                                                 1.048620000000     -2.363129000000      0.683601000000
  H                                                 3.460822000000     -2.083374000000      0.461722000000
  H                                                 2.940663000000      2.058592000000     -0.506194000000
  H                                                 5.415680000000     -1.623094000000     -0.696322000000
  H                                                 5.528037000000     -1.205433000000      1.035691000000
  H                                                 6.580248000000     -0.396589000000     -0.147622000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 19:57:07 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.567529   -0.314210    0.221267
      2          6           0        1.116501    0.958834   -0.121705
      3          6           0       -0.832468   -0.452394    0.346989
      4          6           0       -1.683696    0.608480    0.142165
      5          6           0       -1.129092    1.866387   -0.201361
      6          6           0        0.222901    2.038684   -0.327975
      7          6           0        1.454755   -1.393161    0.424360
      8          1           0       -1.231675   -1.426463    0.608205
      9          1           0       -1.795403    2.705320   -0.363172
     10          1           0        0.626528    3.008752   -0.590297
     11          6           0       -3.181225    0.455073    0.309625
     12          6           0       -3.596004    0.302981    1.774735
     13          6           0       -3.777838   -0.669365   -0.546498
     14          1           0       -3.650918    1.363909   -0.084442
     15          1           0       -3.157853   -0.597186    2.206387
     16          1           0       -4.678109    0.225656    1.860053
     17          1           0       -3.249256    1.161577    2.349930
     18          8           0       -4.726990   -1.325156   -0.223619
     19          8           0       -3.202213   -0.855212   -1.757282
     20          1           0       -2.391116   -0.328302   -1.815758
     21          6           0        2.811014   -1.236817    0.299275
     22          6           0        3.349389    0.027072   -0.040677
     23          6           0        2.511206    1.099868   -0.246327
     24          8           0        4.681594    0.258681   -0.182443
     25          6           0        5.589463   -0.812553    0.016953
     26          1           0        1.048620   -2.363129    0.683601
     27          1           0        3.460822   -2.083374    0.461722
     28          1           0        2.940663    2.058592   -0.506194
     29          1           0        5.415680   -1.623094   -0.696322
     30          1           0        5.528037   -1.205433    1.035691
     31          1           0        6.580248   -0.396589   -0.147622
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.428160   0.000000
     3  C    1.412407   2.451473   0.000000
     4  C    2.434261   2.834339   1.375498   0.000000
     5  C    2.795021   2.423362   2.401129   1.417013   0.000000
     6  C    2.440603   1.416737   2.788342   2.429326   1.368796
     7  C    1.411578   2.438131   2.474352   3.733105   4.206239
     8  H    2.150340   3.425834   1.084625   2.136003   3.392460
     9  H    3.878476   3.404072   3.376793   2.159764   1.083495
    10  H    3.421139   2.159124   3.871267   3.411003   2.130369
    11  C    3.827892   4.348594   2.518244   1.514652   2.542472
    12  C    4.486557   5.121946   3.200966   2.532891   3.526308
    13  C    4.426942   5.175523   3.085547   2.548053   3.683071
    14  H    4.550257   4.784742   3.380643   2.119431   2.574055
    15  H    4.230750   5.109923   2.980896   2.808520   3.997789
    16  H    5.522119   6.167854   4.187848   3.473356   4.420062
    17  H    4.612700   5.020948   3.529524   2.762448   3.391303
    18  O    5.408499   6.274821   4.031700   3.624139   4.809502
    19  O    4.291654   4.961569   3.194669   2.838342   3.758433
    20  H    3.592109   4.102428   2.668756   2.282864   3.002606
    21  C    2.427038   2.805260   3.727272   4.861298   5.040332
    22  C    2.814930   2.420854   4.227068   5.069853   4.844140
    23  C    2.448702   1.407346   3.733858   4.241414   3.720396
    24  O    4.173334   3.633702   5.584873   6.383153   6.029025
    25  C    5.050734   4.812944   6.440484   7.411738   7.236253
    26  H    2.154825   3.418854   2.702352   4.072980   4.838842
    27  H    3.399839   3.884747   4.594083   5.815003   6.091601
    28  H    3.433825   2.164455   4.611886   4.889570   4.085679
    29  H    5.104872   5.047720   6.441924   7.488933   7.433405
    30  H    5.105311   5.048293   6.441848   7.489844   7.435304
    31  H    6.024588   5.629420   7.429409   8.329881   8.034791
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.723041   0.000000
     8  H    3.872915   2.692919   0.000000
     9  H    2.125839   5.289733   4.281704   0.000000
    10  H    1.082940   4.592638   4.955851   2.451409   0.000000
    11  C    3.808206   4.992138   2.725816   2.727044   4.672271
    12  C    4.692344   5.496415   3.153065   3.685654   5.544759
    13  C    4.836031   5.370891   2.896460   3.918183   5.738371
    14  H    3.939683   5.824793   3.757482   2.306515   4.610634
    15  H    4.979990   5.008528   2.636674   4.400619   5.928387
    16  H    5.665195   6.503369   4.021757   4.404708   6.472172
    17  H    4.471730   5.688781   3.715130   3.443509   5.203719
    18  O    5.985627   6.215985   3.594360   4.985821   6.897635
    19  O    4.706268   5.170716   3.131274   4.074315   5.563392
    20  H    3.827428   4.576328   2.902733   3.415808   4.663031
    21  C    4.221455   1.370959   4.058908   6.099046   4.856766
    22  C    3.728814   2.413081   4.849738   5.809122   4.075104
    23  C    2.474749   2.789463   4.595838   4.597609   2.704471
    24  O    4.803075   3.675497   6.199321   6.926052   4.916584
    25  C    6.086749   4.195104   6.874183   8.188783   6.293000
    26  H    4.591411   1.083046   2.466328   5.905368   5.536974
    27  H    5.300860   2.121814   4.740519   7.158208   5.921969
    28  H    2.723672   3.871492   5.549405   4.782158   2.503018
    29  H    6.364688   4.122830   6.777004   8.416999   6.663424
    30  H    6.366188   4.123178   6.776821   8.419239   6.665432
    31  H    6.810209   5.252713   7.915684   8.934194   6.873070
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.530268   0.000000
    13  C    1.534032   2.523221   0.000000
    14  H    1.096304   2.141290   2.088973   0.000000
    15  H    2.169217   1.090230   2.822759   3.055635   0.000000
    16  H    2.167284   1.088214   2.720852   2.476248   1.763007
    17  H    2.160236   1.090078   3.467138   2.475568   1.766977
    18  O    2.417220   2.814850   1.197999   2.899719   2.982794
    19  O    2.447323   3.737864   1.353470   2.815001   3.972306
    20  H    2.399000   3.839520   1.910587   2.729127   4.103393
    21  C    6.226518   6.752617   6.667106   6.976215   6.298696
    22  C    6.553992   7.184033   7.179014   7.126945   6.912539
    23  C    5.755746   6.482109   6.540058   6.169902   6.405781
    24  O    7.880649   8.505947   8.517969   8.406063   8.239900
    25  C    8.866651   9.418440   9.385324   9.493783   9.019731
    26  H    5.096441   5.465460   5.260863   6.047012   4.809558
    27  H    7.112217   7.564224   7.444067   7.922052   7.004247
    28  H    6.380779   7.142326   7.251319   6.641491   7.183533
    29  H    8.901544   9.540772   9.244069   9.565552   9.109538
    30  H    8.895825   9.277372   9.454629   9.597366   8.785510
    31  H    9.809218  10.379834  10.369352  10.381720  10.020589
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.776949   0.000000
    18  O    2.597902   3.871782   0.000000
    19  O    4.053598   4.575898   2.213123   0.000000
    20  H    4.364492   4.506562   2.997488   0.968985   0.000000
    21  C    7.788570   6.832595   7.556635   6.366628   5.688666
    22  C    8.251844   7.109446   8.190842   6.829981   6.019186
    23  C    7.542369   6.318804   7.633658   6.224828   5.341867
    24  O    9.580027   8.374158   9.541053   8.116359   7.282547
    25  C   10.483221   9.352161  10.331981   8.969019   8.202620
    26  H    6.393846   5.802753   5.937854   5.128480   4.713714
    27  H    8.574914   7.688965   8.251355   7.129404   6.520151
    28  H    8.185626   6.875840   8.385851   6.913060   5.986659
    29  H   10.575325   9.597664  10.158050   8.716843   7.992227
    30  H   10.338907   9.185360  10.332752   9.172820   8.462453
    31  H   11.452884  10.260838  11.345556   9.924610   9.125388
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.415214   0.000000
    23  C    2.418194   1.376857   0.000000
    24  O    2.442875   1.359599   2.328575   0.000000
    25  C    2.824798   2.392953   3.633502   1.418283   0.000000
    26  H    2.126574   3.395759   3.872502   4.563159   4.844374
    27  H    1.079490   2.172281   3.396488   2.718539   2.518714
    28  H    3.394895   2.123873   1.082181   2.524943   3.941230
    29  H    2.815086   2.724422   4.006618   2.084234   1.093590
    30  H    2.815228   2.724728   4.007400   2.084214   1.093597
    31  H    3.887522   3.260272   4.336615   2.008850   1.087091
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.438486   0.000000
    28  H    4.954499   4.285243   0.000000
    29  H    4.639294   2.318274   4.440346   0.000000
    30  H    4.639979   2.318102   4.441371   1.785199   0.000000
    31  H    5.929344   3.598244   4.404891   1.778090   1.778091
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.15D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.567529   -0.314210    0.221267
      2          6           0        1.116501    0.958834   -0.121705
      3          6           0       -0.832468   -0.452394    0.346989
      4          6           0       -1.683696    0.608480    0.142165
      5          6           0       -1.129092    1.866387   -0.201361
      6          6           0        0.222901    2.038684   -0.327975
      7          6           0        1.454755   -1.393161    0.424360
      8          1           0       -1.231675   -1.426463    0.608205
      9          1           0       -1.795403    2.705320   -0.363172
     10          1           0        0.626528    3.008752   -0.590297
     11          6           0       -3.181225    0.455073    0.309625
     12          6           0       -3.596004    0.302981    1.774735
     13          6           0       -3.777838   -0.669365   -0.546498
     14          1           0       -3.650918    1.363909   -0.084442
     15          1           0       -3.157853   -0.597186    2.206387
     16          1           0       -4.678109    0.225656    1.860053
     17          1           0       -3.249256    1.161577    2.349930
     18          8           0       -4.726990   -1.325156   -0.223619
     19          8           0       -3.202213   -0.855212   -1.757282
     20          1           0       -2.391116   -0.328302   -1.815758
     21          6           0        2.811014   -1.236817    0.299275
     22          6           0        3.349389    0.027072   -0.040677
     23          6           0        2.511206    1.099868   -0.246327
     24          8           0        4.681594    0.258681   -0.182443
     25          6           0        5.589463   -0.812553    0.016953
     26          1           0        1.048620   -2.363129    0.683601
     27          1           0        3.460822   -2.083374    0.461722
     28          1           0        2.940663    2.058592   -0.506194
     29          1           0        5.415680   -1.623094   -0.696322
     30          1           0        5.528037   -1.205433    1.035691
     31          1           0        6.580248   -0.396589   -0.147622
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3057598           0.2090469           0.1973322
 Leave Link  202 at Thu Aug 12 19:57:07 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 588 were deleted.
 There are   551 symmetry adapted cartesian basis functions of A   symmetry.
 There are   517 symmetry adapted basis functions of A   symmetry.
   517 basis functions,   967 primitive gaussians,   551 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1134.4648957289 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0643243357 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1134.4005713932 Hartrees.
 Leave Link  301 at Thu Aug 12 19:57:09 2021, MaxMem=  5368709120 cpu:              11.5 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   517 RedAO= T EigKep=  1.10D-06  NBF=   517
 NBsUse=   514 1.00D-06 EigRej=  8.91D-07 NBFU=   514
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   551   551   551   551   551 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Thu Aug 12 19:57:10 2021, MaxMem=  5368709120 cpu:               6.5 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:57:10 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer06_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:57:11 2021, MaxMem=  5368709120 cpu:               6.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368092331 LenY=  5367788179
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 960000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -767.760529360641    
 DIIS: error= 1.44D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -767.760529360641     IErMin= 1 ErrMin= 1.44D-03
 ErrMax= 1.44D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.67D-03 BMatP= 7.67D-03
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.44D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.159 Goal=   None    Shift=    0.000
 GapD=    0.159 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.17D-02 MaxDP=8.52D+00              OVMax= 1.45D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.00D-02    CP:  1.52D+00
 E= -767.766708015876     Delta-E=       -0.006178655234 Rises=F Damp=F
 DIIS: error= 3.14D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -767.766708015876     IErMin= 2 ErrMin= 3.14D-04
 ErrMax= 3.14D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.20D-04 BMatP= 7.67D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.14D-03
 Coeff-Com:  0.278D-01 0.972D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.277D-01 0.972D+00
 Gap=     0.160 Goal=   None    Shift=    0.000
 RMSDP=2.73D-03 MaxDP=3.08D-01 DE=-6.18D-03 OVMax= 4.95D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.23D-04    CP:  1.53D+00  1.04D+00
 E= -767.766442843812     Delta-E=        0.000265172063 Rises=F Damp=F
 DIIS: error= 4.73D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -767.766708015876     IErMin= 2 ErrMin= 3.14D-04
 ErrMax= 4.73D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.84D-04 BMatP= 2.20D-04
 IDIUse=3 WtCom= 3.15D-01 WtEn= 6.85D-01
 Coeff-Com: -0.908D-02 0.627D+00 0.382D+00
 Coeff-En:   0.000D+00 0.689D+00 0.311D+00
 Coeff:     -0.286D-02 0.669D+00 0.334D+00
 Gap=     0.159 Goal=   None    Shift=    0.000
 RMSDP=2.31D-04 MaxDP=1.21D-02 DE= 2.65D-04 OVMax= 3.52D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.56D-04    CP:  1.53D+00  1.04D+00  9.56D-01
 E= -767.766875320652     Delta-E=       -0.000432476840 Rises=F Damp=F
 DIIS: error= 6.54D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -767.766875320652     IErMin= 4 ErrMin= 6.54D-05
 ErrMax= 6.54D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.23D-06 BMatP= 2.20D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.583D-02 0.294D+00 0.133D+00 0.579D+00
 Coeff:     -0.583D-02 0.294D+00 0.133D+00 0.579D+00
 Gap=     0.159 Goal=   None    Shift=    0.000
 RMSDP=1.09D-04 MaxDP=7.40D-03 DE=-4.32D-04 OVMax= 7.70D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.50D-05    CP:  1.53D+00  1.04D+00  9.47D-01  1.14D+00
 E= -767.766880963010     Delta-E=       -0.000005642358 Rises=F Damp=F
 DIIS: error= 2.77D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -767.766880963010     IErMin= 5 ErrMin= 2.77D-05
 ErrMax= 2.77D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.82D-06 BMatP= 8.23D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.213D-02 0.688D-01 0.152D-01 0.382D+00 0.536D+00
 Coeff:     -0.213D-02 0.688D-01 0.152D-01 0.382D+00 0.536D+00
 Gap=     0.159 Goal=   None    Shift=    0.000
 RMSDP=3.23D-05 MaxDP=1.89D-03 DE=-5.64D-06 OVMax= 4.54D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.92D-05    CP:  1.53D+00  1.04D+00  9.48D-01  1.15D+00  9.66D-01
 E= -767.766882361172     Delta-E=       -0.000001398162 Rises=F Damp=F
 DIIS: error= 6.37D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -767.766882361172     IErMin= 6 ErrMin= 6.37D-06
 ErrMax= 6.37D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.53D-07 BMatP= 1.82D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.622D-03 0.106D-01-0.362D-02 0.166D+00 0.311D+00 0.517D+00
 Coeff:     -0.622D-03 0.106D-01-0.362D-02 0.166D+00 0.311D+00 0.517D+00
 Gap=     0.159 Goal=   None    Shift=    0.000
 RMSDP=7.39D-06 MaxDP=4.77D-04 DE=-1.40D-06 OVMax= 9.61D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.97D-06    CP:  1.53D+00  1.04D+00  9.51D-01  1.15D+00  9.24D-01
                    CP:  9.86D-01
 E= -767.766882499049     Delta-E=       -0.000000137878 Rises=F Damp=F
 DIIS: error= 1.52D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -767.766882499049     IErMin= 7 ErrMin= 1.52D-06
 ErrMax= 1.52D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.12D-09 BMatP= 1.53D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.910D-04-0.124D-02-0.279D-02 0.444D-01 0.960D-01 0.237D+00
 Coeff-Com:  0.627D+00
 Coeff:     -0.910D-04-0.124D-02-0.279D-02 0.444D-01 0.960D-01 0.237D+00
 Coeff:      0.627D+00
 Gap=     0.159 Goal=   None    Shift=    0.000
 RMSDP=2.95D-06 MaxDP=1.82D-04 DE=-1.38D-07 OVMax= 3.53D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.73D-06    CP:  1.53D+00  1.04D+00  9.52D-01  1.14D+00  9.26D-01
                    CP:  9.54D-01  9.05D-01
 E= -767.766882503869     Delta-E=       -0.000000004820 Rises=F Damp=F
 DIIS: error= 8.87D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -767.766882503869     IErMin= 8 ErrMin= 8.87D-07
 ErrMax= 8.87D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.75D-09 BMatP= 7.12D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.165D-05-0.160D-02-0.118D-02 0.104D-01 0.264D-01 0.909D-01
 Coeff-Com:  0.385D+00 0.490D+00
 Coeff:     -0.165D-05-0.160D-02-0.118D-02 0.104D-01 0.264D-01 0.909D-01
 Coeff:      0.385D+00 0.490D+00
 Gap=     0.159 Goal=   None    Shift=    0.000
 RMSDP=7.67D-07 MaxDP=3.75D-05 DE=-4.82D-09 OVMax= 1.63D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.97D-07    CP:  1.53D+00  1.04D+00  9.52D-01  1.15D+00  9.29D-01
                    CP:  9.49D-01  9.10D-01  8.94D-01
 E= -767.766882505241     Delta-E=       -0.000000001372 Rises=F Damp=F
 DIIS: error= 1.97D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -767.766882505241     IErMin= 9 ErrMin= 1.97D-07
 ErrMax= 1.97D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.29D-11 BMatP= 1.75D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.645D-05-0.681D-03-0.336D-03 0.151D-02 0.506D-02 0.258D-01
 Coeff-Com:  0.138D+00 0.249D+00 0.581D+00
 Coeff:      0.645D-05-0.681D-03-0.336D-03 0.151D-02 0.506D-02 0.258D-01
 Coeff:      0.138D+00 0.249D+00 0.581D+00
 Gap=     0.159 Goal=   None    Shift=    0.000
 RMSDP=2.78D-07 MaxDP=2.14D-05 DE=-1.37D-09 OVMax= 4.35D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.23D-07    CP:  1.53D+00  1.04D+00  9.52D-01  1.15D+00  9.28D-01
                    CP:  9.49D-01  9.12D-01  9.09D-01  9.59D-01
 E= -767.766882505347     Delta-E=       -0.000000000106 Rises=F Damp=F
 DIIS: error= 9.12D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -767.766882505347     IErMin=10 ErrMin= 9.12D-08
 ErrMax= 9.12D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.78D-11 BMatP= 9.29D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.462D-05-0.226D-03-0.548D-04-0.385D-03-0.186D-03 0.483D-02
 Coeff-Com:  0.374D-01 0.923D-01 0.351D+00 0.515D+00
 Coeff:      0.462D-05-0.226D-03-0.548D-04-0.385D-03-0.186D-03 0.483D-02
 Coeff:      0.374D-01 0.923D-01 0.351D+00 0.515D+00
 Gap=     0.159 Goal=   None    Shift=    0.000
 RMSDP=1.16D-07 MaxDP=7.74D-06 DE=-1.06D-10 OVMax= 1.64D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.47D-08    CP:  1.53D+00  1.04D+00  9.52D-01  1.15D+00  9.28D-01
                    CP:  9.50D-01  9.13D-01  9.18D-01  9.77D-01  8.12D-01
 E= -767.766882505315     Delta-E=        0.000000000032 Rises=F Damp=F
 DIIS: error= 1.91D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -767.766882505347     IErMin=11 ErrMin= 1.91D-08
 ErrMax= 1.91D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.14D-13 BMatP= 1.78D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.176D-05-0.667D-04-0.516D-05-0.255D-03-0.356D-03 0.868D-03
 Coeff-Com:  0.927D-02 0.285D-01 0.125D+00 0.243D+00 0.594D+00
 Coeff:      0.176D-05-0.667D-04-0.516D-05-0.255D-03-0.356D-03 0.868D-03
 Coeff:      0.927D-02 0.285D-01 0.125D+00 0.243D+00 0.594D+00
 Gap=     0.159 Goal=   None    Shift=    0.000
 RMSDP=2.05D-08 MaxDP=1.15D-06 DE= 3.21D-11 OVMax= 3.90D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.50D-08    CP:  1.53D+00  1.04D+00  9.52D-01  1.15D+00  9.28D-01
                    CP:  9.50D-01  9.13D-01  9.23D-01  9.73D-01  8.37D-01
                    CP:  9.36D-01
 E= -767.766882505281     Delta-E=        0.000000000035 Rises=F Damp=F
 DIIS: error= 6.59D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -767.766882505347     IErMin=12 ErrMin= 6.59D-09
 ErrMax= 6.59D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-13 BMatP= 7.14D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.334D-06-0.474D-05 0.625D-05-0.102D-03-0.214D-03-0.273D-03
 Coeff-Com: -0.397D-03 0.297D-02 0.218D-01 0.661D-01 0.342D+00 0.568D+00
 Coeff:      0.334D-06-0.474D-05 0.625D-05-0.102D-03-0.214D-03-0.273D-03
 Coeff:     -0.397D-03 0.297D-02 0.218D-01 0.661D-01 0.342D+00 0.568D+00
 Gap=     0.159 Goal=   None    Shift=    0.000
 RMSDP=7.49D-09 MaxDP=4.56D-07 DE= 3.46D-11 OVMax= 1.75D-07

 SCF Done:  E(RB3LYP) =  -767.766882505     A.U. after   12 cycles
            NFock= 12  Conv=0.75D-08     -V/T= 2.0057
 KE= 7.634237825978D+02 PE=-4.056836087551D+03 EE= 1.391244851055D+03
 Leave Link  502 at Thu Aug 12 20:05:35 2021, MaxMem=  5368709120 cpu:            4016.5 elap:             503.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   514
 NBasis=   517 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    514 NOA=    61 NOB=    61 NVA=   453 NVB=   453

 **** Warning!!: The largest alpha MO coefficient is  0.12242842D+03

 Leave Link  801 at Thu Aug 12 20:05:35 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9624 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.61D-13 8.33D-09 XBig12= 1.00D+00 6.77D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.61D-13 8.33D-09 XBig12= 4.72D-01 1.57D-01.
     11 vectors produced by pass  2 Test12= 4.61D-13 8.33D-09 XBig12= 1.17D-01 1.32D-01.
     11 vectors produced by pass  3 Test12= 4.61D-13 8.33D-09 XBig12= 3.12D-02 4.97D-02.
     11 vectors produced by pass  4 Test12= 4.61D-13 8.33D-09 XBig12= 1.15D-02 2.98D-02.
     11 vectors produced by pass  5 Test12= 4.61D-13 8.33D-09 XBig12= 6.85D-04 4.83D-03.
     11 vectors produced by pass  6 Test12= 4.61D-13 8.33D-09 XBig12= 3.26D-05 8.06D-04.
     11 vectors produced by pass  7 Test12= 4.61D-13 8.33D-09 XBig12= 1.20D-06 1.83D-04.
     11 vectors produced by pass  8 Test12= 4.61D-13 8.33D-09 XBig12= 3.03D-08 2.19D-05.
     11 vectors produced by pass  9 Test12= 4.61D-13 8.33D-09 XBig12= 8.38D-10 3.80D-06.
      8 vectors produced by pass 10 Test12= 4.61D-13 8.33D-09 XBig12= 2.56D-11 6.79D-07.
      7 vectors produced by pass 11 Test12= 4.61D-13 8.33D-09 XBig12= 6.89D-13 1.30D-07.
      1 vectors produced by pass 12 Test12= 4.61D-13 8.33D-09 XBig12= 1.16D-13 1.86D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 8.53D-14
 Solved reduced A of dimension   126 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.314439D+03
      2 -0.194908D+02  0.181784D+03
      3 -0.812807D+01 -0.116289D+02  0.125076D+03
 Isotropic polarizability for W=    0.088559      207.10 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.399480D+03 -0.200667D+03  0.203337D+02
      2  -0.196243D+03  0.156510D+03 -0.526852D+02
      3  -0.203237D+03  0.441566D+02  0.323515D+02
      4  -0.126415D+03  0.109391D+03 -0.475704D+02
      5   0.841022D+02 -0.575604D+02 -0.560722D+02
      6  -0.203021D+02  0.143697D+02 -0.505398D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.650602D+01  0.207238D+02 -0.254508D+01
      2  -0.715232D+00 -0.169370D+02 -0.284825D+02
      3   0.143504D+03 -0.586668D+02  0.211055D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.999001D+01  0.670549D+02  0.492106D+02
      2  -0.637685D+02 -0.272684D+02  0.147165D+03
      3   0.742518D+02 -0.305635D+03  0.372584D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.413271D+00 -0.459134D+01 -0.198070D+02
      2  -0.459134D+01  0.482628D+00  0.197864D+01
      3  -0.198070D+02  0.197864D+01 -0.240691D+01
 OR G Eigenvalues:   -21.3826    -0.5336    19.5786  Iso=     0.7792
 Eigenvectors:
   (1)   0.693726   0.080907   0.715681
   (2)   0.117799   0.967544  -0.223566
   (3)   0.710541  -0.239399  -0.661679
 w=    0.088559 a.u., Optical Rotation Beta=      0.7792 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =      171.59 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  133903 ScalPx= 3.38D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.08D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.68D-14 2.78D-09 XBig12= 1.00D+00 3.75D-01.
     30 vectors produced by pass  1 Test12= 7.68D-14 2.78D-09 XBig12= 1.20D-01 1.50D-01.
     30 vectors produced by pass  2 Test12= 7.68D-14 2.78D-09 XBig12= 4.39D-03 1.71D-02.
     30 vectors produced by pass  3 Test12= 7.68D-14 2.78D-09 XBig12= 1.35D-04 1.35D-03.
     30 vectors produced by pass  4 Test12= 7.68D-14 2.78D-09 XBig12= 2.88D-06 2.37D-04.
     30 vectors produced by pass  5 Test12= 7.68D-14 2.78D-09 XBig12= 3.65D-08 1.75D-05.
     30 vectors produced by pass  6 Test12= 7.68D-14 2.78D-09 XBig12= 2.96D-10 2.16D-06.
     29 vectors produced by pass  7 Test12= 7.68D-14 2.78D-09 XBig12= 1.69D-12 1.23D-07.
      8 vectors produced by pass  8 Test12= 7.68D-14 2.78D-09 XBig12= 2.48D-14 1.44D-08.
      5 vectors produced by pass  9 Test12= 7.68D-14 2.78D-09 XBig12= 9.44D-15 6.93D-09.
      5 vectors produced by pass 10 Test12= 7.68D-14 2.78D-09 XBig12= 2.21D-14 9.47D-09.
      5 vectors produced by pass 11 Test12= 7.68D-14 2.78D-09 XBig12= 3.71D-13 4.68D-08.
      4 vectors produced by pass 12 Test12= 7.68D-14 2.78D-09 XBig12= 2.74D-14 7.68D-09.
      4 vectors produced by pass 13 Test12= 7.68D-14 2.78D-09 XBig12= 4.00D-14 1.04D-08.
      4 vectors produced by pass 14 Test12= 7.68D-14 2.78D-09 XBig12= 2.20D-13 2.52D-08.
      2 vectors produced by pass 15 Test12= 7.68D-14 2.78D-09 XBig12= 7.60D-14 1.70D-08.
      1 vectors produced by pass 16 Test12= 7.68D-14 2.78D-09 XBig12= 3.69D-15 4.16D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.33D-15
 Solved reduced A of dimension   277 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 9.51D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 9.51D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.08D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.314439D+03 -0.194908D+02 -0.812807D+01
      2  -0.194908D+02  0.181784D+03 -0.116289D+02
      3  -0.812807D+01 -0.116289D+02  0.125076D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.650602D+01  0.207238D+02 -0.254508D+01
      2  -0.715232D+00 -0.169370D+02 -0.284825D+02
      3   0.143504D+03 -0.586668D+02  0.211055D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.399480D+03 -0.200667D+03  0.203337D+02
      2  -0.196243D+03  0.156510D+03 -0.526852D+02
      3  -0.203237D+03  0.441566D+02  0.323515D+02
      4  -0.126415D+03  0.109391D+03 -0.475704D+02
      5   0.841022D+02 -0.575604D+02 -0.560722D+02
      6  -0.203021D+02  0.143697D+02 -0.505398D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.442793D+02  0.131322D+02 -0.914802D+00 -0.373446D+02  0.693640D+01
      2   0.131322D+02 -0.788102D+01  0.106872D+01  0.693640D+01 -0.570642D+01
      3  -0.914802D+00  0.106872D+01 -0.181770D-01  0.223869D+00  0.843187D+00
                 6             7             8             9            10 
      1   0.223869D+00  0.123643D+02 -0.289266D+01 -0.104728D+01  0.420494D+02
      2   0.843187D+00 -0.289266D+01  0.151019D+01 -0.112676D+01 -0.141022D+02
      3   0.163923D+00 -0.104728D+01 -0.112676D+01  0.630037D+00  0.104219D+01
                11            12            13            14            15 
      1  -0.141022D+02  0.104219D+01  0.402994D+02 -0.757661D+01 -0.200936D+00
      2   0.452541D+01 -0.254359D+00 -0.757661D+01  0.776123D+01 -0.130475D+01
      3  -0.254359D+00 -0.170648D+00 -0.200936D+00 -0.130475D+01 -0.165328D+00
                16            17            18            19            20 
      1  -0.125254D+02  0.293509D+01  0.810627D+00  0.468074D+02 -0.133104D+02
      2   0.293509D+01 -0.169623D+01  0.124710D+01 -0.133104D+02  0.115361D+02
      3   0.810627D+00  0.124710D+01 -0.367567D+00  0.113360D+01 -0.209711D+01
                21            22            23            24            25 
      1   0.113360D+01 -0.263385D+02  0.490271D+01 -0.616194D+00  0.475120D+01
      2  -0.209711D+01  0.490271D+01 -0.840442D+01  0.424275D+00 -0.988989D+00
      3   0.600863D+00 -0.616194D+00  0.424275D+00 -0.188686D+01 -0.677288D+00
                26            27            28            29            30 
      1  -0.988989D+00 -0.677288D+00 -0.572860D+02  0.760740D+01  0.492413D+00
      2  -0.252960D+00 -0.304051D+01  0.760740D+01 -0.542609D+01  0.125185D+00
      3  -0.304051D+01  0.222089D+01  0.492413D+00  0.125185D+00 -0.234674D+01
                31            32            33            34            35 
      1   0.901000D+01 -0.417974D+01 -0.793482D+00 -0.448013D+01 -0.448797D+00
      2  -0.417974D+01  0.175741D+02 -0.382369D+01 -0.448797D+00 -0.311716D+01
      3  -0.793482D+00 -0.382369D+01  0.686194D+00 -0.687215D+01  0.170311D+01
                36            37            38            39            40 
      1  -0.687215D+01  0.436065D+00 -0.200264D+01  0.414206D+00  0.147626D+02
      2   0.170311D+01 -0.200264D+01 -0.154565D+02  0.341139D+01 -0.160724D+01
      3   0.190284D+00  0.414206D+00  0.341139D+01 -0.318217D+01 -0.116630D+01
                41            42            43            44            45 
      1  -0.160724D+01 -0.116630D+01 -0.403984D+01 -0.864396D+00 -0.544216D+01
      2  -0.625890D+01  0.280137D+01 -0.864396D+00  0.391652D+01  0.220237D+01
      3   0.280137D+01  0.104126D+01 -0.544216D+01  0.220237D+01 -0.843752D+00
                46            47            48            49            50 
      1   0.562317D+01  0.202118D+01 -0.632508D+00  0.275483D+01 -0.490256D+01
      2   0.202118D+01  0.107430D+02 -0.184365D+01 -0.490256D+01  0.167371D+01
      3  -0.632508D+00 -0.184365D+01  0.251082D+01  0.134074D+01  0.149032D+01
                51            52            53            54            55 
      1   0.134074D+01 -0.571179D+00  0.135673D+01  0.590979D+00 -0.265369D+01
      2   0.149032D+01  0.135673D+01  0.131693D+01  0.427287D+01 -0.289311D+01
      3   0.100879D+01  0.590979D+00  0.427287D+01 -0.282449D+01  0.702857D+00
                56            57            58            59            60 
      1  -0.289311D+01  0.702857D+00 -0.269345D+01  0.448095D+01 -0.124778D+01
      2  -0.590654D+01  0.800519D+00  0.448095D+01 -0.322545D+01 -0.869240D+00
      3   0.800519D+00 -0.257594D+01 -0.124778D+01 -0.869240D+00 -0.929929D+00
                61            62            63            64            65 
      1   0.596082D+00 -0.136255D+01 -0.262000D+00 -0.157503D+01 -0.222951D+01
      2  -0.136255D+01 -0.858086D+00 -0.384816D+01 -0.222951D+01 -0.111450D+01
      3  -0.262000D+00 -0.384816D+01  0.268340D+01  0.595854D+00  0.306883D+00
                66            67            68            69            70 
      1   0.595854D+00 -0.286069D+01 -0.289119D+01  0.875964D+00  0.963230D+00
      2   0.306883D+00 -0.289119D+01 -0.529375D+01  0.132123D+01  0.893640D+00
      3  -0.350027D+00  0.875964D+00  0.132123D+01 -0.101620D+01 -0.280497D+00
                71            72            73            74            75 
      1   0.893640D+00 -0.280497D+00 -0.566619D+01  0.367933D+01 -0.496279D+00
      2   0.131522D+01 -0.464871D+00  0.367933D+01 -0.370463D+01  0.607062D+00
      3  -0.464871D+00  0.356277D+00 -0.496279D+00  0.607062D+00 -0.406629D+00
                76            77            78            79            80 
      1   0.409414D+01 -0.485379D+01  0.102340D+01 -0.631987D+00  0.109697D+01
      2  -0.485379D+01  0.670577D+01 -0.107551D+01  0.109697D+01 -0.126272D+01
      3   0.102340D+01 -0.107551D+01  0.797657D+00  0.300525D+00  0.437692D+00
                81            82            83            84            85 
      1   0.300525D+00  0.108544D+01  0.194611D+01 -0.522494D+00  0.793276D+00
      2   0.437692D+00  0.194611D+01  0.290575D+01 -0.764872D+00  0.197010D+01
      3  -0.314811D+00 -0.522494D+00 -0.764872D+00  0.396819D+00 -0.442375D+00
                86            87            88            89            90 
      1   0.197010D+01 -0.442375D+00 -0.207150D+00 -0.501104D+00  0.209639D+00
      2   0.101083D+02 -0.235628D+01 -0.501104D+00 -0.270532D+01  0.606149D+00
      3  -0.235628D+01  0.133948D+01  0.209639D+00  0.606149D+00 -0.367340D+00
                91            92            93            94            95 
      1   0.198235D+02 -0.220658D+01  0.114347D+00  0.710367D+01  0.122254D+01
      2  -0.220658D+01  0.182319D+01  0.826393D+00  0.122254D+01 -0.231609D+01
      3   0.114347D+00  0.826393D+00  0.304818D+01  0.781339D+00  0.245814D+01
                96            97            98            99           100 
      1   0.781339D+00 -0.434420D+01  0.190966D+01  0.884469D+01  0.101611D+02
      2   0.245814D+01  0.190966D+01  0.192278D+01 -0.235886D+00  0.260065D+00
      3   0.111681D+01  0.884469D+01 -0.235886D+00 -0.225848D+01 -0.240385D+01
               101           102           103           104           105 
      1   0.260065D+00 -0.240385D+01 -0.965092D+00 -0.195408D+01 -0.324635D+00
      2  -0.179989D+01 -0.397431D+00 -0.195408D+01 -0.923273D-01 -0.387242D+01
      3  -0.397431D+00 -0.222194D+01 -0.324635D+00 -0.387242D+01 -0.879820D+00
               106           107           108           109           110 
      1   0.745618D+01 -0.104217D+01 -0.587022D+01  0.553813D+01  0.410884D+01
      2  -0.104217D+01 -0.241171D+01 -0.120548D+00  0.410884D+01  0.163930D+01
      3  -0.587022D+01 -0.120548D+00  0.345669D+01 -0.152454D+01 -0.703346D+00
               111           112           113           114           115 
      1  -0.152454D+01  0.228284D+00  0.174549D+01 -0.138548D+01 -0.990479D+01
      2  -0.703346D+00  0.174549D+01  0.386868D+00 -0.124328D+01 -0.243890D+01
      3  -0.134126D+01 -0.138548D+01 -0.124328D+01 -0.643603D+00 -0.421603D+01
               116           117           118           119           120 
      1  -0.243890D+01 -0.421603D+01 -0.143530D+01  0.239883D+01 -0.885861D+00
      2  -0.220637D+01 -0.137355D+00  0.239883D+01 -0.199763D+01  0.125100D+00
      3  -0.137355D+00  0.446303D+00 -0.885861D+00  0.125100D+00 -0.131978D+01
               121           122           123           124           125 
      1   0.475820D+01 -0.229798D+01  0.254847D+00 -0.155967D+01  0.208908D+00
      2  -0.229798D+01  0.516603D+01 -0.121496D+01  0.208908D+00 -0.152320D+01
      3   0.254847D+00 -0.121496D+01  0.139313D+01 -0.164174D+01  0.113451D+01
               126           127           128           129           130 
      1  -0.164174D+01  0.412678D+00 -0.654029D+00  0.218791D+00 -0.194150D+01
      2   0.113451D+01 -0.654029D+00  0.911151D+00 -0.421535D+00  0.234299D+00
      3  -0.636320D+00  0.218791D+00 -0.421535D+00  0.162998D+01  0.384783D+00
               131           132           133           134           135 
      1   0.234299D+00  0.384783D+00  0.385942D+00 -0.362868D-01  0.321889D+00
      2  -0.329346D+01  0.221320D+01 -0.362868D-01  0.169320D+01 -0.131051D+01
      3   0.221320D+01 -0.275511D+01  0.321889D+00 -0.131051D+01  0.223281D+01
               136           137           138           139           140 
      1  -0.172098D+02  0.244594D+00  0.435908D+01 -0.714290D+00 -0.116495D+01
      2   0.244594D+00 -0.794981D+00 -0.259751D+00 -0.116495D+01 -0.763971D-01
      3   0.435908D+01 -0.259751D+00 -0.261889D+01  0.212594D-01  0.701655D+00
               141           142           143           144           145 
      1   0.212594D-01  0.146578D+01  0.175703D+00 -0.135976D+01 -0.518196D+00
      2   0.701655D+00  0.175703D+00  0.761686D-01 -0.437207D-01  0.801242D+00
      3  -0.144158D+00 -0.135976D+01 -0.437207D-01  0.475398D+00  0.676800D+00
               146           147           148           149           150 
      1   0.801242D+00  0.676800D+00  0.132219D+01  0.321063D-01 -0.420042D+00
      2   0.987309D+00  0.723100D+00  0.321063D-01  0.392956D+01  0.316329D+01
      3   0.723100D+00  0.158253D+01 -0.420042D+00  0.316329D+01  0.366102D+01
               151           152           153           154           155 
      1  -0.423598D-01 -0.382906D-01  0.109263D+00 -0.163600D+02 -0.533931D+01
      2  -0.382906D-01  0.219289D+01  0.230317D+01 -0.533931D+01 -0.299598D+01
      3   0.109263D+00  0.230317D+01  0.370788D+01  0.938077D+00 -0.197879D+00
               156           157           158           159           160 
      1   0.938077D+00 -0.878244D+01 -0.610115D+01  0.692922D+00  0.181701D+01
      2  -0.197879D+00 -0.610115D+01 -0.502057D+01  0.639978D+00  0.893109D+00
      3  -0.214941D+01  0.692922D+00  0.639978D+00 -0.125122D+01 -0.211282D+01
               161           162           163           164           165 
      1   0.893109D+00 -0.211282D+01 -0.125893D+02 -0.378431D+01 -0.302644D+01
      2   0.141636D+01 -0.121379D+01 -0.378431D+01 -0.625221D+00  0.108674D-01
      3  -0.121379D+01  0.174516D+01 -0.302644D+01  0.108674D-01 -0.113147D+01
               166           167           168           169           170 
      1  -0.821209D+01 -0.155812D+01 -0.120172D+01  0.233177D+01  0.508647D+00
      2  -0.155812D+01 -0.129951D+01 -0.181188D+01  0.508647D+00 -0.117780D+00
      3  -0.120172D+01 -0.181188D+01 -0.243479D+01 -0.646511D+00 -0.150893D+01
               171           172           173           174           175 
      1  -0.646511D+00  0.100941D+02  0.308931D+01  0.107464D+01  0.920950D+01
      2  -0.150893D+01  0.308931D+01  0.975890D+00  0.580227D+00  0.160992D+01
      3  -0.683148D+01  0.107464D+01  0.580227D+00  0.272557D+01  0.154984D+01
               176           177           178           179           180 
      1   0.160992D+01  0.154984D+01  0.394555D+01  0.688912D+00  0.173161D+01
      2   0.624375D+00 -0.426266D+00  0.688912D+00 -0.107634D+01  0.698740D+00
      3  -0.426266D+00  0.176500D+01  0.173161D+01  0.698740D+00 -0.171758D+01
               181           182           183           184           185 
      1   0.342020D+01  0.162923D+01 -0.226578D+00 -0.164167D+02  0.441809D+01
      2   0.162923D+01  0.111097D+02 -0.247402D+01  0.441809D+01  0.242445D+01
      3  -0.226578D+00 -0.247402D+01  0.310770D+01  0.737381D+00 -0.211125D+01
               186           187           188           189           190 
      1   0.737381D+00  0.415636D+01 -0.376758D+00  0.392149D+01  0.375262D+02
      2  -0.211125D+01 -0.376758D+00 -0.292362D+01 -0.245453D+01 -0.898923D+01
      3  -0.129812D+01  0.392149D+01 -0.245453D+01  0.108809D+01  0.749948D+00
               191           192           193           194           195 
      1  -0.898923D+01  0.749948D+00 -0.426105D+01  0.384872D+01  0.111067D+01
      2   0.106044D+02 -0.115314D+01  0.384872D+01 -0.143037D+02  0.295679D+01
      3  -0.115314D+01  0.428906D+01  0.111067D+01  0.295679D+01 -0.769150D+00
               196           197           198           199           200 
      1  -0.387954D+00  0.135232D+01  0.718289D+01 -0.384698D+02  0.145026D+02
      2   0.135232D+01  0.208669D+01 -0.209315D+01  0.145026D+02 -0.980973D+01
      3   0.718289D+01 -0.209315D+01 -0.229749D+00 -0.126481D+01  0.183821D+01
               201           202           203           204           205 
      1  -0.126481D+01  0.211014D+02 -0.691382D+01  0.853723D+00 -0.248049D+01
      2   0.183821D+01 -0.691382D+01  0.876489D+01  0.268467D-01  0.134293D+01
      3  -0.549319D+00  0.853723D+00  0.268467D-01  0.225285D+01  0.809225D+00
               206           207           208           209           210 
      1   0.134293D+01  0.809225D+00 -0.789117D+01  0.547356D+01 -0.890696D+00
      2   0.768560D+00  0.424516D+01  0.547356D+01 -0.517774D+01  0.870238D+00
      3   0.424516D+01 -0.295363D+01 -0.890696D+00  0.870238D+00 -0.602723D+00
               211           212           213           214           215 
      1  -0.214300D+01  0.368739D+01 -0.879147D+00  0.103387D+01 -0.120783D+01
      2   0.368739D+01  0.606691D+00 -0.524984D+00 -0.120783D+01  0.528125D+00
      3  -0.879147D+00 -0.524984D+00 -0.123342D+01  0.199167D+00  0.743592D+00
               216           217           218           219           220 
      1   0.199167D+00  0.817478D+00 -0.527876D+01  0.108654D+01 -0.313741D+01
      2   0.743592D+00 -0.527876D+01  0.268128D+01  0.749483D-01 -0.201069D+01
      3  -0.602756D-02  0.108654D+01  0.749483D-01  0.903780D-01  0.459107D+00
               221           222           223           224           225 
      1  -0.201069D+01  0.459107D+00  0.355045D+00  0.499127D+00 -0.299391D+01
      2   0.255420D+01  0.231339D+01  0.499127D+00  0.171560D+01  0.436049D+01
      3   0.231339D+01  0.564086D+01 -0.299391D+01  0.436049D+01 -0.354641D+01
               226           227           228           229           230 
      1  -0.594548D+00 -0.171396D+01  0.460305D+00 -0.377028D+00 -0.132684D+01
      2  -0.171396D+01 -0.248551D+01  0.676303D+00 -0.132684D+01 -0.876132D+01
      3   0.460305D+00  0.676303D+00 -0.356295D+00  0.327559D+00  0.204574D+01
               231           232           233           234           235 
      1   0.327559D+00  0.168542D+00  0.458413D+00 -0.113865D-01  0.592558D+01
      2   0.204574D+01  0.458413D+00  0.226823D+01 -0.560358D+00 -0.320352D+01
      3  -0.124039D+01 -0.113865D-01 -0.560358D+00  0.357065D+00  0.388725D+00
               236           237           238           239           240 
      1  -0.320352D+01  0.388725D+00 -0.469528D+01  0.460791D+01 -0.985798D+00
      2   0.277860D+01 -0.443548D+00  0.460791D+01 -0.565441D+01  0.971582D+00
      3  -0.443548D+00  0.250917D+00 -0.985798D+00  0.971582D+00 -0.650903D+00
               241           242           243           244           245 
      1   0.699869D+00 -0.102593D+01 -0.313603D+00  0.208139D+01  0.293803D+01
      2  -0.102593D+01  0.118416D+01 -0.203080D+00  0.293803D+01  0.227824D+01
      3  -0.313603D+00 -0.203080D+00  0.212855D+00 -0.808182D+00 -0.635584D+00
               246           247           248           249           250 
      1  -0.808182D+00  0.362358D+01  0.376521D+01 -0.103189D+01 -0.984649D+00
      2  -0.635584D+00  0.376521D+01  0.712411D+01 -0.176126D+01 -0.105950D+01
      3   0.575854D+00 -0.103189D+01 -0.176126D+01  0.122936D+01  0.476408D+00
               251           252           253           254           255 
      1  -0.105950D+01  0.476408D+00 -0.783556D+00  0.544063D-01 -0.798770D+00
      2  -0.185654D+01  0.473811D+00  0.544063D-01 -0.689374D+00 -0.547121D-01
      3   0.473811D+00 -0.366383D+00 -0.798770D+00 -0.547121D-01 -0.557688D+00
               256           257           258           259           260 
      1  -0.268561D+01  0.287506D+01  0.158469D+01 -0.371650D+01  0.197816D+01
      2   0.287506D+01 -0.512213D+01 -0.304161D+01  0.197816D+01 -0.320427D+01
      3   0.158469D+01 -0.304161D+01 -0.283820D+01  0.238981D+01 -0.310554D+01
               261           262           263           264           265 
      1   0.238981D+01  0.540694D-01  0.228957D+00  0.113701D+01 -0.887042D+00
      2  -0.310554D+01  0.228957D+00 -0.474566D+00 -0.276708D+00  0.147759D+01
      3  -0.313971D+01  0.113701D+01 -0.276708D+00 -0.420085D-01 -0.123031D+01
               266           267           268           269           270 
      1   0.147759D+01 -0.123031D+01  0.547658D+01 -0.192141D+01  0.406153D+01
      2  -0.169830D+01  0.144304D+01 -0.192141D+01  0.175280D+01 -0.278216D+01
      3   0.144304D+01 -0.228784D+01  0.406153D+01 -0.278216D+01  0.683148D+01
               271           272           273           274           275 
      1   0.154560D+02  0.159172D+01 -0.118956D+01  0.539466D+01  0.152426D+01
      2   0.159172D+01  0.840566D+00 -0.675044D-01  0.152426D+01  0.112289D+01
      3  -0.118956D+01 -0.675044D-01  0.113245D+01 -0.295999D+00 -0.376641D+00
               276           277           278           279 
      1  -0.295999D+00 -0.209102D+01 -0.927347D-01  0.178760D+01
      2  -0.376641D+00 -0.927347D-01 -0.452129D+00 -0.178904D+00
      3   0.328706D+00  0.178760D+01 -0.178904D+00 -0.230896D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.211363D+01  0.278197D+01 -0.505268D+00  0.215730D+01 -0.976387D+00
      2   0.190678D+01  0.104002D+02 -0.124246D+01  0.686211D+01 -0.750957D+01
      3  -0.235433D+02  0.471886D+02 -0.107687D+02  0.222101D+02 -0.314944D+02
                 6             7             8             9            10 
      1   0.673392D-01 -0.523706D+01  0.774618D+01 -0.172686D+01 -0.472803D+00
      2   0.212101D+01 -0.215097D+02  0.461581D+01 -0.199827D+00 -0.248221D+01
      3   0.647818D+01  0.177887D+01  0.328753D+01 -0.583834D+00  0.316524D+02
                11            12            13            14            15 
      1   0.346782D+01 -0.124267D+01  0.104636D-01  0.729800D+00  0.879992D+00
      2   0.103388D+02 -0.771697D+01  0.634475D+01 -0.677997D+01  0.935586D+00
      3   0.378571D+02 -0.976226D+01  0.764972D+02 -0.350966D+02  0.423121D+01
                16            17            18            19            20 
      1  -0.598690D+01  0.663095D+01 -0.169403D+01 -0.296840D+01 -0.104172D+01
      2  -0.245590D+02  0.439794D+01  0.710001D+00 -0.481877D+01 -0.876382D+01
      3  -0.145796D+02  0.461190D+01 -0.778510D+00  0.236520D+02 -0.442974D+02
                21            22            23            24            25 
      1   0.111661D+00 -0.127547D+01 -0.653409D-01 -0.148662D+01 -0.676284D+01
      2   0.110488D+01 -0.190705D+01  0.290173D+01  0.118041D+01 -0.194293D+02
      3   0.102023D+02 -0.132808D+02  0.587900D+01 -0.246701D+01  0.912549D+01
                26            27            28            29            30 
      1   0.322505D+01 -0.117483D+01 -0.117067D+01  0.179874D+01  0.888890D+00
      2   0.838025D+01 -0.193882D+01  0.282882D+00  0.395701D+01  0.917209D+00
      3  -0.243434D+01 -0.119467D+01 -0.477271D+02  0.162597D+02 -0.225272D+01
                31            32            33            34            35 
      1   0.617460D+01  0.551746D+01  0.550687D+00  0.406745D+01  0.145348D+02
      2   0.390700D+01 -0.117127D+01  0.148984D+00 -0.162075D+02  0.150517D+01
      3   0.381233D+02 -0.113668D+02 -0.123595D+00 -0.415514D+01 -0.143044D+01
                36            37            38            39            40 
      1  -0.323566D+01 -0.360278D+00  0.921619D+00  0.788505D+01  0.263666D+01
      2   0.482048D+00 -0.566872D+01  0.108902D+01  0.165825D+01 -0.284000D+01
      3  -0.399048D+01 -0.178826D+02  0.452279D+01 -0.153341D+01  0.117481D+02
                41            42            43            44            45 
      1  -0.580809D+00 -0.222512D+01  0.185350D+02  0.438812D+01 -0.174354D+01
      2  -0.389041D+01 -0.160636D+01 -0.668509D+01 -0.786352D+01  0.222224D+01
      3  -0.204996D+01 -0.964027D+00 -0.488559D+01  0.178913D+00 -0.757077D+01
                46            47            48            49            50 
      1   0.304699D+00 -0.320054D+01 -0.690060D+01 -0.290179D+01 -0.490827D+00
      2   0.862940D+01 -0.777979D+01  0.197989D+01 -0.749855D+01  0.799149D+01
      3   0.382137D+02 -0.323120D+02  0.652986D+01 -0.102405D+02  0.287879D+02
                51            52            53            54            55 
      1  -0.345535D+01 -0.862185D+01 -0.551367D+01  0.448949D+01  0.103892D+01
      2  -0.150452D+01 -0.158266D+02 -0.107702D+01  0.245063D+01  0.740513D+01
      3  -0.491571D+01  0.501826D+01 -0.361064D+01  0.573511D+01  0.394333D+02
                56            57            58            59            60 
      1  -0.460100D+01 -0.499080D+01 -0.144454D+01  0.573804D+00 -0.244139D+01
      2  -0.986559D+01 -0.444461D+01 -0.733246D+01  0.724931D+01 -0.248710D+01
      3  -0.354332D+02  0.905115D+01 -0.868689D+01  0.371603D+02 -0.544082D+01
                61            62            63            64            65 
      1  -0.730515D+01 -0.289779D+01  0.232215D+01 -0.296157D+00 -0.532188D+00
      2  -0.224859D+02 -0.322125D+01  0.611554D+01  0.792174D+00  0.713816D+00
      3   0.678677D+01 -0.334263D+01  0.112445D+02  0.795697D+00 -0.215284D+00
                66            67            68            69            70 
      1  -0.127339D+01 -0.832152D+00 -0.163528D+01 -0.282635D+01 -0.702180D+00
      2   0.308561D+00  0.980158D+00 -0.508561D+00  0.180269D+01 -0.240620D+01
      3   0.160810D+00  0.295079D+01 -0.576052D+01  0.136968D+01  0.134076D+00
                71            72            73            74            75 
      1   0.254069D+01  0.338872D+00 -0.385587D+00  0.330376D+00  0.233202D+01
      2  -0.916935D+00  0.364662D-01 -0.161524D+01  0.948463D-01  0.182754D+01
      3   0.135334D+01  0.381549D+00 -0.103519D+02  0.163281D+01 -0.199739D+00
                76            77            78            79            80 
      1  -0.132474D+01  0.417533D+00 -0.358622D+01 -0.317826D+01  0.121828D+01
      2  -0.514724D+00  0.388707D+00 -0.250975D+01 -0.217040D+01 -0.938405D-01
      3   0.396886D+01  0.602727D+00  0.795602D+00  0.450198D+00 -0.180904D+00
                81            82            83            84            85 
      1   0.673802D+00  0.673946D+00  0.422867D+00 -0.173163D+01  0.550920D+00
      2   0.866450D+00  0.121365D+01  0.712253D+00  0.666015D+00  0.892473D+00
      3   0.133077D+01  0.600661D+01  0.312646D+01 -0.130838D+01  0.515791D+01
                86            87            88            89            90 
      1   0.136311D+01 -0.515365D+01  0.964761D+00  0.248092D+01  0.599152D+00
      2   0.120494D+01  0.957174D+00 -0.124395D+01  0.590491D+00 -0.752216D+00
      3   0.398214D+01 -0.150497D+01 -0.101874D+01 -0.184640D+01 -0.368842D+00
                91            92            93            94            95 
      1   0.329961D+01  0.102409D+01 -0.172293D+01  0.686790D+01  0.254755D+00
      2  -0.514283D+01 -0.233733D+01 -0.733413D+01 -0.231213D+01 -0.114096D+02
      3   0.185363D+02  0.958742D-01  0.232708D+01  0.282991D+02 -0.155872D+02
                96            97            98            99           100 
      1  -0.230866D+01 -0.217468D+01  0.569843D+01  0.126051D+01  0.416282D+01
      2  -0.175979D+01 -0.381325D+02  0.119241D+01  0.624417D+01 -0.111011D+02
      3   0.113175D+02 -0.539528D+00  0.146889D+02  0.832066D+01  0.660352D+01
               101           102           103           104           105 
      1  -0.700219D+01  0.903726D+00 -0.253982D+01  0.420538D+00 -0.128068D+02
      2  -0.956710D+00  0.179631D+02 -0.289819D+01  0.206763D+02  0.351681D+01
      3  -0.154897D+02 -0.492321D+00 -0.981017D+01  0.183688D+01 -0.175447D+02
               106           107           108           109           110 
      1   0.359899D+01 -0.678848D+01 -0.397067D+01 -0.518356D+01  0.202562D+01
      2   0.207312D+02 -0.595314D+00 -0.772694D+01  0.125745D+02  0.645605D+01
      3   0.854624D+01 -0.162403D+02 -0.573885D+01 -0.774729D+01  0.768882D+01
               111           112           113           114           115 
      1   0.105662D+02 -0.115079D+02 -0.764672D+01 -0.541150D+01  0.102108D+02
      2   0.482014D+01  0.706010D+01  0.556898D+01 -0.104077D+02  0.762725D+01
      3  -0.861407D+01  0.522260D+01  0.188545D+02 -0.413470D+01 -0.213004D+02
               116           117           118           119           120 
      1   0.197428D+01  0.581831D+01  0.145195D+01 -0.111311D+01  0.110151D+01
      2  -0.238884D+01  0.282166D+01  0.414809D+01 -0.154193D+01  0.584635D+01
      3  -0.107505D+02 -0.513083D+01  0.994144D+01 -0.746601D+01  0.198133D+00
               121           122           123           124           125 
      1  -0.124403D+01  0.191939D+01 -0.283383D+01  0.112952D+01 -0.258544D+00
      2  -0.185658D+01  0.552237D+01 -0.546215D+01  0.356606D+01 -0.408344D+01
      3  -0.101356D+01  0.187647D+02 -0.488347D+01 -0.886113D+00 -0.645294D+01
               126           127           128           129           130 
      1   0.671342D+00 -0.275143D+01  0.332289D+01 -0.849094D+00  0.137654D+01
      2   0.253099D+01 -0.435215D+01  0.390654D+01 -0.619921D+01  0.365176D+01
      3   0.269152D+01 -0.530176D+01  0.463765D+01 -0.217547D+01  0.377835D+01
               131           132           133           134           135 
      1  -0.919492D+01  0.370094D+01 -0.384528D+00  0.544631D+01 -0.299347D+01
      2  -0.105695D+02  0.101199D+02 -0.266688D+01  0.518485D+01 -0.911983D+01
      3  -0.138352D+02  0.942037D+01 -0.143987D+00  0.618056D+01 -0.547705D+01
               136           137           138           139           140 
      1  -0.287620D+01 -0.274846D+01  0.753250D+00 -0.266868D+01 -0.108403D+01
      2   0.986838D+01  0.917268D+00  0.793234D+01  0.834103D+00 -0.753015D+00
      3  -0.894029D+01 -0.628122D+01  0.135533D+01 -0.454703D+01 -0.114237D+01
               141           142           143           144           145 
      1   0.503897D+00 -0.494733D-01  0.150152D+01 -0.364929D+00  0.182228D+01
      2   0.101230D+01  0.142265D+01  0.109090D+01  0.339964D+00 -0.403497D+01
      3   0.248896D+01 -0.582271D+00  0.310960D+01 -0.139153D+01  0.308304D+01
               146           147           148           149           150 
      1   0.311238D+01  0.163544D+00  0.174051D+01  0.803967D+01  0.290146D+01
      2  -0.417984D+01 -0.675062D+01 -0.230559D+01 -0.131667D+02 -0.133806D+02
      3   0.454475D+01  0.263405D+01  0.332077D+01  0.145676D+02  0.111566D+02
               151           152           153           154           155 
      1  -0.475749D+00  0.537403D+01  0.276432D+01  0.455108D+01  0.103721D+00
      2  -0.346116D+01 -0.906375D+01 -0.139864D+02 -0.112888D+02 -0.194447D+01
      3  -0.777247D+00  0.818576D+01  0.844779D+01 -0.813232D+01 -0.208132D+02
               156           157           158           159           160 
      1  -0.704937D+01  0.753563D+01  0.485593D+01 -0.516695D+01 -0.404287D+01
      2   0.180070D+02 -0.163404D+01 -0.569723D+01  0.127277D+02  0.474118D+01
      3   0.228667D-01 -0.191323D+02 -0.280527D+02  0.168006D+01  0.518129D+01
               161           162           163           164           165 
      1   0.774081D+00  0.253685D+01  0.665954D+01  0.350363D+01 -0.398392D+01
      2   0.404121D+01 -0.103727D+02 -0.139061D+02 -0.679672D+01  0.311009D+01
      3   0.713179D+01 -0.300111D+01 -0.105340D+02 -0.447739D+01  0.136501D+01
               166           167           168           169           170 
      1   0.993363D+01  0.592394D+01  0.436663D+00 -0.296108D+01  0.615952D+01
      2  -0.113975D+02  0.427254D+01  0.999770D+01 -0.245627D+00  0.546388D+01
      3  -0.259097D+01 -0.654288D+01 -0.103341D+02  0.745678D+01 -0.220975D+01
               171           172           173           174           175 
      1  -0.450447D+01 -0.872834D+01 -0.414311D+01  0.146850D+01 -0.110849D+02
      2   0.223085D+02  0.217678D+02  0.504039D+01 -0.782388D+01  0.110819D+02
      3  -0.471003D+01  0.231686D+01  0.300224D+01  0.299324D+01  0.109212D+02
               176           177           178           179           180 
      1  -0.462910D+01 -0.110842D+01  0.120524D+01  0.285725D+00 -0.132309D+01
      2   0.459670D+01 -0.531679D+01 -0.371970D+01 -0.138350D+01  0.681344D+01
      3   0.162187D+01  0.134516D+01  0.263462D+01  0.138218D+01  0.422740D+00
               181           182           183           184           185 
      1  -0.572890D-01  0.394966D+01  0.592629D+01  0.232022D+01  0.485486D+00
      2  -0.644553D+01  0.242340D+01  0.762460D+01 -0.488855D+01 -0.665162D+01
      3  -0.256003D+02  0.640992D+01 -0.231651D+01 -0.243105D+02 -0.792782D+01
               186           187           188           189           190 
      1  -0.268482D+01  0.115520D+02  0.451179D+01 -0.251697D+01 -0.143407D+01
      2  -0.320358D+01 -0.476984D+01 -0.109493D+02  0.279021D+01 -0.437350D+01
      3   0.477974D+01  0.807960D+01  0.445720D+01 -0.128444D+01  0.769349D+01
               191           192           193           194           195 
      1   0.300433D+01 -0.307606D+01  0.325315D+01  0.185890D+01  0.313781D+01
      2   0.625846D+01  0.640502D+00  0.134026D+02 -0.282353D+01 -0.435351D+00
      3   0.177724D+02 -0.477304D+01  0.484016D+02 -0.112964D+02  0.651573D+00
               196           197           198           199           200 
      1  -0.361697D+00  0.155803D+02 -0.452467D+01 -0.202729D+00 -0.315201D+01
      2  -0.282355D-01  0.269818D+01 -0.798141D+00 -0.119613D+01 -0.748133D+01
      3  -0.126949D+02  0.877800D+00  0.465142D+01 -0.311150D+02 -0.298585D+02
               201           202           203           204           205 
      1   0.991499D+00 -0.298789D+01  0.198282D+01 -0.376432D+01 -0.835819D+01
      2   0.534496D+01 -0.540848D+01  0.990807D+01  0.285041D+01 -0.144579D+02
      3   0.764648D+01  0.712304D+01  0.116270D+02 -0.646920D+01  0.395644D+01
               206           207           208           209           210 
      1   0.329573D+01  0.782299D+00  0.145493D+01 -0.277304D+01  0.388629D+01
      2   0.169104D+02 -0.732094D+01  0.220531D+01 -0.800519D+01  0.149419D+02
      3  -0.768485D+01 -0.666517D+01  0.186048D+01 -0.438823D+02  0.706041D+01
               211           212           213           214           215 
      1   0.315057D+00 -0.207912D+01 -0.529948D+01  0.143806D+01 -0.190097D+01
      2  -0.335474D+01 -0.284988D+01 -0.738309D+01 -0.667362D+01  0.356778D+01
      3  -0.567836D+01 -0.373443D+01  0.271274D+01  0.270592D+01  0.247565D+01
               216           217           218           219           220 
      1   0.149542D+01  0.519599D+00  0.122490D+01 -0.883179D+00 -0.145016D+01
      2  -0.926818D-01  0.755933D+01  0.400101D+01 -0.152334D+01  0.467413D+01
      3  -0.431131D+01  0.370588D+02  0.381233D+01 -0.550823D+01  0.252423D+02
               221           222           223           224           225 
      1   0.281129D+01  0.729886D+01 -0.140520D+02  0.990980D+01 -0.467774D+01
      2   0.982499D+01  0.362402D+02 -0.212079D+02  0.284445D+02 -0.229168D+02
      3  -0.344478D+02 -0.114161D+02 -0.504645D+01 -0.846853D+01 -0.279643D+02
               226           227           228           229           230 
      1   0.133908D+00 -0.253715D+00 -0.141105D+01 -0.454647D-01 -0.787654D+00
      2   0.207231D+01  0.181948D+01 -0.708821D-01  0.140472D+01  0.448446D+01
      3   0.794046D+01  0.571147D+01 -0.195980D+01  0.552578D+01  0.172529D+02
               231           232           233           234           235 
      1  -0.400233D+01  0.547168D+00  0.316971D+01  0.285094D+00 -0.941454D+00
      2  -0.119872D+01 -0.475311D+00 -0.106899D+01  0.377114D-01 -0.220031D+01
      3  -0.448846D+01 -0.197720D+01 -0.482255D+01  0.548805D+00 -0.463267D+01
               236           237           238           239           240 
      1   0.674372D+00  0.143431D+01 -0.288720D+00 -0.578510D+00 -0.279226D+01
      2  -0.112777D+00  0.132606D+01 -0.122759D+01  0.176052D+01 -0.291282D+01
      3  -0.381435D+01  0.923658D+00 -0.462765D+01  0.128856D+02 -0.175608D+01
               241           242           243           244           245 
      1  -0.267289D+01  0.147531D+01  0.508005D+00  0.112790D+00 -0.146532D+00
      2  -0.248124D+01 -0.114297D+00  0.111351D+01 -0.141895D+01 -0.106242D+01
      3   0.235243D+01 -0.273347D+01  0.145900D+01 -0.419468D+01 -0.413080D+01
               246           247           248           249           250 
      1  -0.148780D+01  0.221223D+00 -0.379733D+00 -0.353591D+01  0.719864D-01
      2   0.218897D+01 -0.162055D+01 -0.417610D+01  0.423858D+01 -0.179929D+01
      3   0.919402D+00 -0.276929D+01 -0.172967D+02  0.395224D+01  0.151485D+01
               251           252           253           254           255 
      1   0.180816D+01  0.576679D+00  0.475177D+00 -0.290478D+00 -0.126674D+01
      2   0.557031D+00 -0.811685D+00 -0.578134D+01 -0.585823D+00 -0.234761D+01
      3   0.455070D+01 -0.460239D+00  0.237562D+01  0.295253D+01  0.137211D+01
               256           257           258           259           260 
      1   0.175793D+01 -0.191821D+01 -0.508887D+01  0.323502D+01 -0.135941D+01
      2   0.612408D+01 -0.151296D+02 -0.166193D+02  0.994876D+01 -0.175924D+02
      3  -0.140468D+02  0.353635D+02  0.165920D+02 -0.777892D+01  0.201860D+02
               261           262           263           264           265 
      1  -0.484996D+01  0.132893D+00 -0.220566D+00 -0.483973D+00 -0.100512D+01
      2  -0.167352D+02  0.815131D+01 -0.177890D+01  0.292784D+00 -0.639855D+01
      3   0.178984D+02  0.201617D+00  0.885871D+00  0.895045D+00 -0.829740D+01
               266           267           268           269           270 
      1   0.121980D+01 -0.336279D+01  0.516606D+01 -0.233831D+00  0.832730D+01
      2   0.877206D+01 -0.140698D+02  0.185395D+02 -0.175780D+02  0.403605D+02
      3   0.144524D+02 -0.907944D+01  0.822941D+01 -0.135643D+02  0.172282D+02
               271           272           273           274           275 
      1  -0.107879D+01 -0.450352D+00  0.445770D+00 -0.186997D+00 -0.512975D+00
      2  -0.681381D+01 -0.750450D+00  0.949163D+01 -0.182465D+01 -0.203656D+01
      3  -0.219200D+02 -0.105195D+02  0.182306D+01 -0.122455D+02 -0.775112D+01
               276           277           278           279 
      1  -0.675035D+00  0.186327D+01  0.112653D+00  0.359383D-01
      2   0.240789D+01  0.885294D+01 -0.906328D+00 -0.140491D+01
      3   0.248386D+01  0.241480D+01  0.311472D+01  0.261594D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.924142D+02  0.501273D+02 -0.809052D+01 -0.793334D+02  0.469977D+00
      2   0.486025D+02 -0.305415D+02  0.508770D+01  0.452524D+02  0.126918D+01
      3   0.438117D+02 -0.195858D+02  0.300282D+01  0.340810D+02 -0.173915D+01
      4   0.563667D+02 -0.733734D+01 -0.570009D+00 -0.567088D+01 -0.231004D+01
      5  -0.187941D+02  0.164825D+01  0.158990D+01 -0.266414D+01  0.253977D+01
      6   0.284053D+01  0.545645D+00  0.101684D+01  0.172961D+01 -0.235568D+01
                 6             7             8             9            10 
      1   0.197591D+01  0.249908D+02 -0.561627D+01 -0.990295D+01  0.108875D+03
      2  -0.338327D+01 -0.121699D+02  0.290284D+01 -0.994844D+00 -0.525126D+02
      3   0.140737D+01 -0.128209D+02  0.271343D+01  0.108978D+02 -0.563629D+02
      4   0.142932D+01 -0.221901D+01  0.121333D+01  0.835872D+00 -0.371142D+02
      5   0.517104D+00  0.173757D+01 -0.171991D+01  0.241786D+00  0.116026D+02
      6   0.487518D+00  0.163435D+01  0.375550D+01  0.180842D+01 -0.637377D+01
                11            12            13            14            15 
      1  -0.224463D+02 -0.239931D+01  0.763277D+02 -0.275960D+02  0.381877D+00
      2   0.146604D+02 -0.128846D+00 -0.351057D+02  0.243230D+02 -0.505571D+01
      3   0.778593D+01  0.252816D+01 -0.412220D+02  0.327306D+01  0.467383D+01
      4   0.376945D+01 -0.138381D+01 -0.137359D+02  0.145628D+02 -0.238675D+01
      5  -0.640321D+01 -0.926276D+01  0.747665D+01 -0.299307D+01 -0.662727D-01
      6   0.931603D+00  0.138991D+01 -0.293145D+01 -0.334438D+01 -0.984406D+00
                16            17            18            19            20 
      1  -0.261105D+02  0.622325D+01 -0.913853D+01  0.626552D+02 -0.592908D+02
      2   0.133736D+02 -0.498468D+01  0.528789D+00 -0.335918D+02  0.423774D+02
      3   0.127369D+02 -0.123857D+01  0.860974D+01 -0.290633D+02  0.169134D+02
      4   0.651846D+01 -0.213567D+01  0.380917D+01 -0.553965D+02  0.589552D+01
      5  -0.308554D+01  0.413532D+01  0.684646D+00  0.213881D+02 -0.206350D+01
      6   0.504873D+01  0.579122D+01  0.175338D+01 -0.325077D+01 -0.116955D+01
                21            22            23            24            25 
      1   0.104952D+02  0.116392D+01  0.381489D+02 -0.839051D+01 -0.400728D+01
      2  -0.753990D+01 -0.135070D+02 -0.372540D+02  0.960132D+01  0.676599D+01
      3  -0.295530D+01  0.123431D+02 -0.894864D+00 -0.121081D+01 -0.275871D+01
      4  -0.598313D+00  0.275516D+02 -0.655664D+01  0.500289D+01 -0.546732D+01
      5  -0.537362D+01 -0.114560D+02  0.682318D+01  0.787553D+01  0.452620D+01
      6   0.150076D+01  0.100538D+02  0.906755D+01  0.152296D+01  0.165830D+01
                26            27            28            29            30 
      1  -0.542607D+01 -0.619013D+01 -0.199078D+01  0.967775D+01  0.146081D+01
      2   0.885888D+01 -0.841288D+01 -0.171663D+02 -0.107510D+02  0.655098D+00
      3  -0.343281D+01  0.146030D+02  0.191570D+02  0.107321D+01 -0.211591D+01
      4   0.672133D+01  0.257838D+01  0.260436D+02  0.121292D+02  0.667849D+00
      5   0.936916D+01 -0.329980D+01 -0.234353D+02  0.367763D+01  0.114987D+02
      6   0.340319D+01  0.946211D+00  0.129001D+02 -0.329600D+00 -0.309070D+01
                31            32            33            34            35 
      1   0.271804D+02 -0.756496D+02  0.135631D+02 -0.105752D+02  0.167297D+02
      2  -0.199864D+02  0.700267D+02 -0.176133D+02  0.450013D+01 -0.168133D+02
      3  -0.719407D+01  0.562292D+01  0.405014D+01  0.607512D+01  0.836166D-01
      4  -0.421044D+02  0.603901D+01  0.177640D+01  0.210548D+02  0.694154D+00
      5   0.156639D+02  0.507967D+00 -0.130235D+01  0.336358D+02 -0.536255D+01
      6   0.155067D+01 -0.100275D+02 -0.188950D+00 -0.623369D+01  0.723742D+01
                36            37            38            39            40 
      1  -0.260203D+01 -0.558416D+01  0.782072D+02 -0.187172D+02 -0.189857D+02
      2  -0.494647D+01  0.161067D+01 -0.651807D+02  0.959446D+01  0.237120D+02
      3   0.754850D+01  0.397350D+01 -0.130265D+02  0.912270D+01 -0.472631D+01
      4   0.281349D+01 -0.884356D+00 -0.241120D+02  0.439746D+01  0.990967D+01
      5  -0.412071D+00  0.185292D+01  0.168239D+00  0.491904D+01  0.770007D+01
      6   0.536612D+01 -0.396335D+01  0.652071D+01 -0.163909D+02 -0.150636D+02
                41            42            43            44            45 
      1   0.337965D+02 -0.119711D+02  0.748351D+01 -0.177381D+02 -0.108458D+02
      2  -0.347722D+02  0.104325D+02 -0.145275D+02  0.201563D+02  0.146638D+01
      3   0.975681D+00  0.153855D+01  0.704394D+01 -0.241823D+01  0.937946D+01
      4   0.674439D+01 -0.793160D+01  0.573864D+01 -0.582801D+01 -0.888297D+01
      5  -0.896185D+01 -0.682958D+01  0.220762D+02 -0.720475D+01  0.470634D+01
      6   0.111811D+02  0.275135D+01 -0.196975D+02  0.135364D+02  0.805206D+00
                46            47            48            49            50 
      1   0.480547D+01 -0.521204D+02  0.101245D+02  0.289662D+02 -0.892961D+01
      2  -0.572693D+01  0.459900D+02 -0.353569D+01 -0.238922D+02  0.243831D+00
      3   0.921454D+00  0.613039D+01 -0.658876D+01 -0.507401D+01  0.868578D+01
      4   0.162845D+02 -0.396589D+01  0.137618D+01 -0.533716D+01 -0.110760D+02
      5  -0.330027D+01  0.555657D+01 -0.234132D+01  0.171853D+01  0.297695D+01
      6   0.483816D+01 -0.122359D+01  0.125050D+02  0.450355D+01  0.143615D+02
                51            52            53            54            55 
      1  -0.650120D+01 -0.748817D+01 -0.210217D+01 -0.253858D+02  0.102936D+02
      2   0.965607D+01  0.820727D+01  0.138595D+02  0.110615D+02 -0.662440D+01
      3  -0.315487D+01 -0.719103D+00 -0.117574D+02  0.143243D+02 -0.366915D+01
      4   0.585691D+01  0.264291D+01  0.742855D+01  0.564756D+01 -0.373512D+02
      5   0.484166D+00  0.456209D+01  0.443026D+00  0.846745D-01  0.725247D+01
      6   0.520275D+01  0.205672D+01  0.240519D+02 -0.928660D+01  0.249105D+01
                56            57            58            59            60 
      1  -0.552575D+02  0.105457D+02  0.741303D+00  0.215174D+02 -0.109638D+02
      2   0.348975D+02 -0.178398D+01 -0.599080D+01 -0.174026D+02  0.102732D+02
      3   0.203600D+02 -0.876170D+01  0.524950D+01 -0.411479D+01  0.690598D+00
      4  -0.300101D+02  0.638421D+01  0.329506D+02 -0.191138D+02  0.352911D+00
      5   0.738530D+01 -0.156086D+02 -0.902145D+01  0.115301D+01 -0.608793D+00
      6   0.369758D+00  0.101079D+02  0.341909D+01  0.110854D+02  0.351773D+01
                61            62            63            64            65 
      1  -0.201034D+01 -0.757248D+01 -0.215396D+02  0.292046D+01 -0.944249D+00
      2   0.261576D+01  0.149545D+02  0.358625D+01 -0.750147D+00  0.172057D+01
      3  -0.605418D+00 -0.738199D+01  0.179534D+02 -0.217031D+01 -0.776323D+00
      4  -0.609178D+01  0.253086D+01 -0.104144D+02  0.697673D+01  0.926250D+01
      5   0.108385D+01 -0.125007D+02  0.960502D+01 -0.219505D+01 -0.235092D+01
      6  -0.257432D+00  0.166966D+02 -0.612999D+01 -0.151229D+01 -0.121602D+01
                66            67            68            69            70 
      1   0.160359D+00 -0.461040D+01 -0.166682D+02  0.440852D+01  0.536868D+00
      2   0.164236D+00  0.588974D+01  0.181037D+02 -0.216772D+01 -0.392051D-01
      3  -0.324595D+00 -0.127934D+01 -0.143548D+01 -0.224080D+01 -0.497663D+00
      4  -0.180422D+01  0.121376D+02  0.172145D+02 -0.379621D+01 -0.332558D+01
      5   0.271100D+01 -0.352381D+01 -0.396143D+01  0.360520D+01  0.165445D+01
      6   0.102216D+01 -0.306702D+01 -0.684275D+01  0.520687D+01  0.216707D+01
                71            72            73            74            75 
      1   0.297286D+01 -0.372092D+01  0.216277D+01  0.545548D+01 -0.103016D+01
      2  -0.245865D+01  0.267094D+01  0.104351D+02 -0.162279D+02  0.205890D+01
      3  -0.514207D+00  0.104999D+01 -0.125978D+02  0.107724D+02 -0.102873D+01
      4  -0.437255D+01  0.237114D+01 -0.293226D+02  0.259174D+02 -0.393252D+01
      5   0.702617D+00 -0.153764D+01  0.429169D+01 -0.406893D+01  0.396700D+01
      6   0.341472D+01 -0.268577D+01 -0.276683D+01  0.324298D+01 -0.335489D+01
                76            77            78            79            80 
      1   0.110383D+02 -0.224747D+02  0.396077D+01 -0.289301D+01  0.468721D+01
      2  -0.232441D+02  0.394252D+02 -0.506855D+01  0.596611D+01 -0.709390D+01
      3   0.122058D+02 -0.169505D+02  0.110777D+01 -0.307310D+01  0.240669D+01
      4   0.284588D+02 -0.358033D+02  0.587596D+01 -0.533838D+01  0.630593D+01
      5  -0.555059D+01  0.600123D+01 -0.431542D+01  0.497338D+00 -0.283066D+01
      6   0.627100D+01 -0.748200D+01  0.653050D+01  0.928964D+00  0.367538D+01
                81            82            83            84            85 
      1  -0.114661D+01 -0.722580D+01 -0.115441D+02  0.330614D+01 -0.877355D+01
      2   0.238962D+01  0.100884D+02  0.170622D+02 -0.359459D+01  0.115173D+02
      3  -0.124301D+01 -0.286258D+01 -0.551812D+01  0.288450D+00 -0.274380D+01
      4  -0.282130D+01  0.858959D+01  0.174297D+02 -0.389372D+01  0.941328D+01
      5   0.159240D+01 -0.145536D+01 -0.262434D+01  0.290677D+01 -0.167811D+01
      6  -0.249082D+01 -0.317468D+01 -0.523048D+01  0.338227D+01 -0.323381D+01
                86            87            88            89            90 
      1  -0.513383D+02  0.125771D+02  0.241177D+01  0.132808D+02 -0.395011D+01
      2   0.696763D+02 -0.137908D+02 -0.342574D+01 -0.167096D+02  0.446600D+01
      3  -0.183380D+02  0.121366D+01  0.101397D+01  0.342879D+01 -0.515894D+00
      4   0.231717D+02 -0.502590D+01 -0.344349D+01 -0.548590D+01  0.270407D+01
      5  -0.246188D+01  0.188646D+01  0.621587D+00  0.267547D+01 -0.142231D+01
      6  -0.181529D+02  0.111677D+02  0.748328D+00  0.643137D+01 -0.404682D+01
                91            92            93            94            95 
      1  -0.372173D+01  0.490202D+01 -0.161894D+02 -0.174918D+01 -0.886472D+01
      2   0.932339D+01  0.142186D+00  0.358079D+00  0.861653D+01 -0.348462D+01
      3  -0.560166D+01 -0.504420D+01  0.158314D+02 -0.686734D+01  0.123493D+02
      4  -0.965238D+01 -0.186569D+02 -0.349568D+01 -0.254177D+02  0.306014D+02
      5   0.327020D+01 -0.522170D+01 -0.220089D+02  0.963468D+00 -0.185595D+02
      6  -0.576615D+01  0.111489D+01  0.921224D+00 -0.605113D+01  0.398258D+01
                96            97            98            99           100 
      1  -0.177791D+01 -0.225387D+00 -0.303514D+01 -0.200067D+02 -0.823529D+02
      2   0.142320D+01 -0.181111D+02  0.808574D+01  0.206838D+02  0.484230D+02
      3   0.354710D+00  0.183365D+02 -0.505060D+01 -0.677168D+00  0.339299D+02
      4  -0.212757D+02 -0.885029D+01 -0.216551D+02 -0.451786D+01  0.316997D+01
      5  -0.435048D+01 -0.706825D+02  0.358155D+01  0.211193D+02  0.459069D+02
      6   0.416382D+01  0.226429D+01 -0.245537D+01 -0.197481D+01 -0.341701D+00
               101           102           103           104           105 
      1  -0.967641D+00  0.321445D+02 -0.872123D+01  0.348448D+02  0.687288D+01
      2   0.274287D+00 -0.989131D+01  0.187129D+01 -0.746209D+01 -0.214824D+01
      3   0.693354D+00 -0.222532D+02  0.684994D+01 -0.273827D+02 -0.472464D+01
      4   0.212397D+02  0.870177D+00  0.209718D+02 -0.338085D+01  0.267454D+02
      5   0.259413D+01  0.892029D+01  0.519171D+01  0.175943D+02  0.426996D+01
      6  -0.126120D+02 -0.126435D+01 -0.676347D+01 -0.237072D+01 -0.214426D+02
               106           107           108           109           110 
      1   0.565394D+01  0.482636D+01  0.177762D+02 -0.633503D+02 -0.258761D+02
      2   0.178995D+02 -0.404599D+01 -0.241817D+02  0.202926D+02  0.213873D+01
      3  -0.235534D+02 -0.780370D+00  0.640549D+01  0.430577D+02  0.237373D+02
      4  -0.543175D+00  0.218583D+02  0.185721D+01 -0.475129D+02 -0.288971D+02
      5   0.441013D+02 -0.166403D+01 -0.333761D+02  0.806890D+01  0.132210D+01
      6  -0.302622D+01 -0.150675D+02 -0.416164D+01  0.805756D+00  0.362727D+01
               111           112           113           114           115 
      1   0.443068D+01 -0.346469D+02 -0.158655D+02  0.118246D+02  0.417151D+02
      2  -0.308087D+01  0.650811D+01  0.223191D+01  0.385660D+00 -0.163122D+02
      3  -0.134981D+01  0.281388D+02  0.136336D+02 -0.122103D+02 -0.254030D+02
      4   0.429387D+01 -0.153312D+02 -0.255546D+02  0.129781D+02  0.288765D+02
      5   0.165597D+01 -0.365942D-01  0.959415D+01 -0.509803D+01  0.246957D+02
      6  -0.397595D+01  0.538218D+01 -0.150970D+01 -0.872240D+00  0.474261D+01
               116           117           118           119           120 
      1   0.102312D+02  0.230088D+02  0.149966D+02 -0.123905D+02  0.661319D+01
      2  -0.142016D+01 -0.272594D+01 -0.151690D+01  0.222854D+01 -0.172277D+01
      3  -0.881108D+01 -0.202828D+02 -0.134796D+02  0.101619D+02 -0.489042D+01
      4   0.228893D+02  0.667857D+01 -0.248150D+02  0.236756D+02 -0.236116D+01
      5   0.291745D+01  0.435931D-01  0.828441D+01 -0.193971D+01  0.115541D+02
      6  -0.213628D+00 -0.210829D+01 -0.226987D+01  0.122549D+01 -0.927503D+00
               121           122           123           124           125 
      1  -0.198376D+02  0.423165D+01 -0.154609D+01  0.883918D+01  0.287478D+00
      2   0.517237D+01  0.119560D+02 -0.269298D+01 -0.313549D+01 -0.352474D+01
      3   0.146652D+02 -0.161876D+02  0.423907D+01 -0.570369D+01  0.323726D+01
      4   0.243119D+02 -0.450276D+02  0.104375D+02 -0.447497D+01  0.143251D+02
      5  -0.278016D+01  0.956961D+01 -0.108266D+02  0.142268D+02 -0.925095D+01
      6   0.135413D+01 -0.365039D+01  0.423258D+01 -0.274957D+01  0.639877D+01
               126           127           128           129           130 
      1   0.400839D+01 -0.145392D+01  0.800663D+01 -0.112814D+02  0.108849D+02
      2  -0.213922D+01  0.341370D+00 -0.307251D+01 -0.115190D-02 -0.660431D+01
      3  -0.186917D+01  0.111255D+01 -0.493412D+01  0.112826D+02 -0.428059D+01
      4  -0.982168D+01  0.394919D+01 -0.639317D+01  0.259051D+01 -0.487112D+00
      5   0.563146D+01 -0.619688D+00 -0.277428D+00 -0.604553D+01 -0.832132D+01
      6  -0.335835D+01 -0.366627D+01  0.583497D+01 -0.299668D+01  0.121319D+01
               131           132           133           134           135 
      1  -0.175769D+02  0.114004D+02 -0.509350D+01  0.696237D+01 -0.143690D+02
      2   0.562558D+01  0.298238D+01  0.129000D+01  0.163938D+01 -0.198596D+01
      3   0.119513D+02 -0.143827D+02  0.380351D+01 -0.860176D+01  0.163550D+02
      4   0.230038D+02 -0.154264D+02 -0.579182D-01 -0.110460D+02  0.872179D+01
      5  -0.110111D+02  0.163607D+02  0.222313D+01  0.641073D+01 -0.108497D+02
      6  -0.169693D+02  0.138673D+02 -0.263121D+00  0.111684D+02 -0.820970D+01
               136           137           138           139           140 
      1   0.118255D+03 -0.173158D+01 -0.224788D+02  0.234103D+01  0.600773D+01
      2  -0.724929D+02  0.908577D+00  0.207393D+02 -0.249136D+01 -0.423530D+01
      3  -0.457616D+02  0.823005D+00  0.173942D+01  0.150337D+00 -0.177244D+01
      4  -0.606963D+01  0.113881D+02  0.261951D+01  0.146872D+02  0.111710D+00
      5  -0.711513D+02  0.226013D+01  0.324373D+02 -0.225637D+01 -0.691345D+01
      6   0.349101D+01 -0.399124D+01 -0.182360D+01 -0.429004D+01  0.461200D-02
               141           142           143           144           145 
      1  -0.800782D+00 -0.862243D+01 -0.146460D+01  0.905078D+01  0.122284D+01
      2   0.140790D+01  0.950213D+01  0.532750D+00 -0.768752D+01 -0.152221D+01
      3  -0.607122D+00 -0.879699D+00  0.931852D+00 -0.136326D+01  0.299377D+00
      4  -0.573327D+01 -0.797950D+00 -0.387580D+01  0.451254D+00 -0.356945D+01
      5   0.197031D+01  0.192231D+02  0.119421D+01 -0.893810D+01 -0.406675D+01
      6   0.426695D+01 -0.201025D-01  0.297385D+01  0.524729D+00  0.399193D+01
               146           147           148           149           150 
      1  -0.948339D+01 -0.137074D+02 -0.776545D+01 -0.209635D+02 -0.164962D+02
      2   0.374801D+01  0.196607D+01  0.526681D+01  0.951498D+01  0.215422D+00
      3   0.573538D+01  0.117414D+02  0.249864D+01  0.114485D+02  0.162807D+02
      4  -0.476939D+01 -0.272296D+01  0.377263D+01 -0.264034D+02 -0.214806D+02
      5  -0.307095D+00 -0.464878D+01  0.827581D+01 -0.170570D+02 -0.219310D+02
      6   0.662460D+01  0.513142D+01 -0.609973D+00  0.224385D+02  0.207572D+02
               151           152           153           154           155 
      1  -0.465000D+01 -0.116888D+02 -0.205999D+02  0.147849D+03  0.393618D+02
      2   0.222562D+01 -0.251193D+00 -0.237175D+01 -0.615858D+02 -0.935144D+01
      3   0.242438D+01  0.119400D+02  0.229716D+02 -0.862632D+02 -0.300103D+02
      4   0.281280D+01 -0.150640D+02 -0.148969D+02  0.736934D+02  0.482770D+02
      5   0.421067D+01 -0.129449D+02 -0.200087D+02  0.340419D+01  0.345287D+01
      6  -0.184017D+00  0.158069D+02  0.165976D+02 -0.156374D+01 -0.687892D+00
               156           157           158           159           160 
      1  -0.855418D+01  0.497369D+02  0.318677D+02 -0.525471D+01 -0.128378D+02
      2   0.102666D+01 -0.686942D+01  0.509359D+01 -0.146551D+01  0.259091D+01
      3   0.752752D+01 -0.428674D+02 -0.369613D+02  0.672022D+01  0.102469D+02
      4  -0.593519D+00  0.696711D+02  0.635708D+02 -0.846154D+01 -0.103218D+02
      5   0.278380D+02 -0.161448D+01 -0.356926D+01  0.167735D+02  0.276903D+02
      6   0.713038D+01  0.910018D+00  0.750675D+00  0.809522D+01  0.905411D+01
               161           162           163           164           165 
      1  -0.400747D+01  0.150265D+02  0.417695D+02  0.167933D+02  0.957020D+01
      2  -0.236735D+01 -0.737511D+01 -0.245080D+02 -0.542036D+01 -0.866351D+01
      3   0.637482D+01 -0.765134D+01 -0.172615D+02 -0.113730D+02 -0.906687D+00
      4  -0.145865D+02  0.140197D+02  0.349520D+02  0.159778D+02  0.245820D+01
      5   0.126250D+02 -0.126728D+02  0.242749D+02  0.344577D+01  0.174938D+02
      6   0.701780D+01 -0.260598D+01  0.123485D+02  0.213868D+01  0.120202D+01
               166           167           168           169           170 
      1   0.217359D+02 -0.353630D+01 -0.126316D+02 -0.134924D+02 -0.104034D+02
      2  -0.102247D+02  0.362760D+01  0.279091D+01  0.739736D+00  0.238588D+01
      3  -0.115112D+02 -0.913028D-01  0.984071D+01  0.127527D+02  0.801752D+01
      4   0.206512D+02  0.118035D+02  0.115394D+02 -0.900203D+01  0.316500D+00
      5   0.129160D+02  0.131187D+02  0.139716D+02  0.147025D+02  0.665601D+01
      6   0.465203D+01  0.937022D+01  0.132964D+02  0.511378D+00  0.100191D+02
               171           172           173           174           175 
      1  -0.273429D+02 -0.399433D+02 -0.928034D+01  0.113794D+02 -0.218350D+02
      2  -0.144063D+02  0.195459D+02  0.316434D+01  0.252903D+01  0.128819D+02
      3   0.417493D+02  0.203975D+02  0.611600D+01 -0.139084D+02  0.895310D+01
      4   0.433897D+01 -0.272245D+02 -0.115216D+02 -0.183831D+01 -0.192164D+02
      5   0.449807D+02 -0.166624D+02 -0.552282D+01 -0.136602D+02 -0.125618D+02
      6   0.134534D+02 -0.872247D+01 -0.507162D+01 -0.412983D+01 -0.582591D+01
               176           177           178           179           180 
      1  -0.111025D+02  0.384831D+01  0.190204D+01  0.132050D+01 -0.121393D+02
      2   0.513790D+01  0.360427D+01  0.479677D+01  0.506747D+00  0.185775D+01
      3   0.596459D+01 -0.745258D+01 -0.669881D+01 -0.182725D+01  0.102815D+02
      4  -0.718892D+01  0.707206D+00 -0.608361D+01 -0.622831D+00 -0.509380D+01
      5  -0.312339D+00 -0.107529D+02 -0.613789D+01 -0.203762D+01  0.379192D+01
      6  -0.304303D+01  0.120224D+01 -0.315107D+01  0.171854D+01 -0.168010D+01
               181           182           183           184           185 
      1  -0.409595D+01  0.611851D+02 -0.135459D+02 -0.819311D+02  0.295082D+02
      2  -0.924420D-01 -0.405554D+02  0.288664D+01  0.520478D+02 -0.227869D+02
      3   0.418839D+01 -0.206297D+02  0.106592D+02  0.298833D+02 -0.672134D+01
      4   0.303980D+02  0.378486D+02 -0.924570D+01  0.335815D+02  0.186418D+02
      5  -0.359801D+01 -0.113973D+02  0.195950D+02 -0.121129D+01 -0.131356D+02
      6  -0.262558D+01  0.454942D+01 -0.127746D+02 -0.103748D+02  0.878532D+01
               186           187           188           189           190 
      1  -0.376426D+01  0.224711D+02 -0.131370D+02  0.117145D+01  0.119249D+03
      2   0.434823D+01 -0.224350D+02  0.132475D+02 -0.776957D+01 -0.679738D+02
      3  -0.583973D+00 -0.360281D-01 -0.110566D+00  0.659812D+01 -0.512749D+02
      4  -0.133583D+02 -0.587952D+01 -0.153504D+02 -0.130264D+02 -0.205636D+02
      5  -0.785345D+01  0.276908D+02 -0.149326D+02  0.934357D+01  0.109251D+02
      6   0.475894D+01 -0.139547D+02  0.978219D+01  0.143507D+01  0.172387D+01
               191           192           193           194           195 
      1  -0.426197D+02  0.528392D+01  0.462317D+01 -0.182748D+02  0.109003D+02
      2   0.285794D+02 -0.310772D+01 -0.633846D+01  0.212483D+02 -0.134301D+02
      3   0.140403D+02 -0.217620D+01  0.171529D+01 -0.297355D+01  0.252977D+01
      4   0.327256D+02 -0.523904D+01 -0.193372D+02 -0.586739D+02  0.142350D+02
      5  -0.652658D+01  0.721391D+01  0.170041D+02  0.139414D+02 -0.442510D+01
      6  -0.330298D-01  0.545035D+01  0.526013D+01 -0.901889D+01 -0.233393D+01
               196           197           198           199           200 
      1  -0.169242D+01  0.128552D+02  0.247202D+02 -0.114688D+03  0.258898D+02
      2   0.207040D+01 -0.106019D+02 -0.213759D+02  0.560604D+02 -0.146832D+02
      3  -0.377984D+00 -0.225336D+01 -0.334433D+01  0.586272D+02 -0.112066D+02
      4   0.192442D+02  0.880771D+01 -0.717900D+01  0.320968D+02 -0.341122D+02
      5   0.517640D+02 -0.134085D+02  0.173079D+01 -0.843487D+01  0.142149D+02
      6  -0.224826D+01  0.726028D+01  0.418515D+01  0.668882D+01 -0.141846D+00
               201           202           203           204           205 
      1   0.193766D-02  0.942467D+02 -0.194990D+02 -0.341702D+01 -0.157809D+02
      2   0.613263D+00 -0.597861D+02  0.227748D+01  0.562676D+01  0.136148D+02
      3  -0.615200D+00 -0.344605D+02  0.172215D+02 -0.220974D+01  0.216611D+01
      4   0.996555D+01 -0.169578D+02  0.299280D+02  0.378361D+01  0.622833D+01
      5   0.240689D+01  0.595528D+01  0.274796D+01  0.997495D+01  0.698240D+01
      6   0.267081D-02  0.638310D+01  0.114788D+02  0.400615D+01  0.368074D+01
               206           207           208           209           210 
      1   0.189322D+01 -0.146838D+02  0.176642D+02  0.354384D+02 -0.688278D+01
      2   0.669078D+01 -0.267772D+01 -0.116078D+02 -0.222783D+02  0.320976D+01
      3  -0.858400D+01  0.173615D+02 -0.605636D+01 -0.131601D+02  0.367301D+01
      4   0.968831D+01  0.245353D+02  0.270177D+02  0.122292D+01  0.435517D+01
      5   0.253521D+02 -0.147915D+02 -0.940294D+01  0.510713D+01  0.255147D+02
      6   0.120224D+02 -0.135319D+01  0.110288D+01 -0.122510D+01 -0.677270D+01
               211           212           213           214           215 
      1  -0.937567D+00  0.145141D+02 -0.486541D+01  0.274649D+00 -0.507590D+01
      2   0.334446D+01 -0.564221D+01  0.635476D+01  0.141241D+01  0.430455D+01
      3  -0.240690D+01 -0.887193D+01 -0.148935D+01 -0.168706D+01  0.771344D+00
      4   0.414780D+02  0.814964D+01 -0.569658D+01 -0.936549D+01  0.104184D+01
      5  -0.101042D+02 -0.449566D+01 -0.137363D+02  0.995222D+01  0.552392D+01
      6  -0.139551D+01  0.224573D+01  0.867972D+01  0.308873D+01  0.228887D+01
               216           217           218           219           220 
      1   0.247582D+01 -0.675268D+02 -0.474775D+02  0.155902D+02 -0.432421D+02
      2  -0.165196D+01  0.413938D+02  0.237486D+02 -0.813295D+01  0.210653D+02
      3  -0.823862D+00  0.261330D+02  0.237289D+02 -0.745728D+01  0.221768D+02
      4   0.750695D+01 -0.461678D+02  0.164443D+02  0.154799D+01 -0.252680D+02
      5  -0.186366D+01  0.154865D+02  0.168039D+01 -0.648756D+01  0.714138D+01
      6  -0.329917D+01 -0.131258D+01 -0.103838D+01  0.183136D+01  0.369982D+01
               221           222           223           224           225 
      1   0.582376D+01  0.104497D+02  0.117189D+02  0.854711D+01 -0.291280D+01
      2  -0.743951D+01 -0.132198D+02  0.477255D-01 -0.111704D+02  0.978906D+00
      3   0.161574D+01  0.277006D+01 -0.117666D+02  0.262334D+01  0.193389D+01
      4   0.339346D+02  0.241041D+02  0.643369D+01  0.168199D+02  0.455632D+02
      5   0.242077D+02  0.706282D+02 -0.338447D+02  0.497986D+02 -0.430689D+02
      6  -0.977588D+01 -0.202014D+02  0.141077D+02 -0.158096D+02  0.833572D+01
               226           227           228           229           230 
      1  -0.657642D+01 -0.163860D+02  0.463248D+01 -0.723035D+01 -0.462050D+02
      2   0.675574D+01  0.152020D+02 -0.328291D+01  0.685036D+01  0.520451D+02
      3  -0.179320D+00  0.118401D+01 -0.134958D+01  0.379994D+00 -0.584004D+01
      4  -0.178694D+00  0.567282D+01 -0.859004D+00  0.237841D+01 -0.969829D+01
      5   0.396259D+00 -0.594504D+00  0.140390D+01  0.128846D+00  0.399616D+01
      6  -0.235419D+01 -0.443638D+01  0.264340D+01 -0.181608D+01 -0.155705D+02
               231           232           233           234           235 
      1   0.116699D+02  0.229358D+01  0.121877D+02 -0.393107D+01  0.338551D+02
      2  -0.990513D+01 -0.185767D+01 -0.123734D+02  0.358474D+01 -0.111909D+02
      3  -0.176475D+01 -0.435916D+00  0.185752D+00  0.346331D+00 -0.226642D+02
      4   0.276385D+01  0.175681D-01  0.269158D+01  0.114316D+01 -0.308926D+02
      5  -0.236258D+01  0.175953D+01 -0.921525D-01 -0.332683D+00  0.574404D+01
      6   0.930029D+01  0.778993D+00  0.553545D+01 -0.349881D+01 -0.206745D+01
               236           237           238           239           240 
      1  -0.130332D+02  0.117959D+01 -0.152103D+02  0.416474D+01 -0.865136D+00
      2   0.977756D-01  0.106684D+00 -0.386715D+01  0.153302D+02 -0.101276D+01
      3   0.129354D+02 -0.128628D+01  0.190774D+02 -0.194949D+02  0.187789D+01
      4   0.251944D+02 -0.382083D+01  0.375969D+02 -0.429764D+02  0.708052D+01
      5  -0.491618D+01  0.332476D+01 -0.910128D+01  0.908949D+01 -0.581955D+01
      6   0.237248D+01 -0.174029D+01  0.577363D+01 -0.674629D+01  0.509866D+01
               241           242           243           244           245 
      1   0.114050D+01 -0.603614D+00 -0.146980D+01  0.506529D+01  0.859152D+01
      2   0.270519D+01 -0.285925D+01  0.168001D+01  0.260443D+01  0.827142D+00
      3  -0.384569D+01  0.346286D+01 -0.210211D+00 -0.766972D+01 -0.941866D+01
      4  -0.765052D+01  0.838548D+01 -0.264226D+01  0.252695D+02  0.238960D+02
      5  -0.559085D+00 -0.227609D+01  0.170442D+01 -0.596156D+01 -0.514626D+01
      6   0.201720D+00  0.230209D+01 -0.178622D+01 -0.306245D+01 -0.280667D+01
               246           247           248           249           250 
      1  -0.209956D+01  0.602935D+01 -0.883544D+01  0.198469D+01 -0.168307D+01
      2   0.669612D+00  0.689245D+01  0.240761D+02 -0.324188D+01 -0.646226D+00
      3   0.142995D+01 -0.129218D+02 -0.152407D+02  0.125719D+01  0.232930D+01
      4  -0.621744D+01  0.316055D+02  0.513758D+02 -0.123802D+02 -0.862129D+01
      5   0.519212D+01 -0.695960D+01 -0.105024D+02  0.812951D+01  0.397278D+01
      6   0.267267D+01 -0.502637D+01 -0.905608D+01  0.733997D+01  0.333848D+01
               251           252           253           254           255 
      1   0.134068D+01 -0.135586D+01  0.282452D+01 -0.586329D+01 -0.111829D+02
      2  -0.428804D+01  0.256840D+01 -0.665427D+00  0.321593D+01  0.554068D+01
      3   0.294736D+01 -0.121253D+01 -0.215910D+01  0.264736D+01  0.564218D+01
      4  -0.135402D+02  0.450887D+01 -0.268862D+01 -0.780148D+00  0.185910D+01
      5   0.263208D+01 -0.268338D+01 -0.999371D+01  0.101790D+01 -0.340099D+01
      6   0.422358D+01 -0.352684D+01  0.251029D+01  0.997207D+00  0.214503D+01
               256           257           258           259           260 
      1  -0.213374D+02  0.379560D+01  0.128660D+01 -0.304317D+02  0.322049D+01
      2   0.561224D+01  0.110934D+02  0.443498D+01  0.134644D+02  0.264959D+01
      3   0.157252D+02 -0.148890D+02 -0.572158D+01  0.169673D+02 -0.587008D+01
      4   0.376228D+02 -0.572253D+02 -0.316245D+02  0.235517D+02 -0.337775D+02
      5   0.183249D+02 -0.325477D+02 -0.328397D+02  0.283668D+02 -0.335299D+02
      6  -0.901739D+01  0.149854D+02  0.131662D+02 -0.105926D+02  0.144781D+02
               261           262           263           264           265 
      1   0.209356D+01  0.118283D+02 -0.179055D+01  0.129449D+02 -0.776764D+01
      2  -0.252973D+01 -0.733041D+01  0.107847D+01 -0.559776D+01  0.307450D+01
      3   0.436173D+00 -0.449786D+01  0.712080D+00 -0.734714D+01  0.469313D+01
      4  -0.310839D+02 -0.114400D+01 -0.552795D+00 -0.566282D+01  0.208866D+02
      5  -0.328282D+02  0.143221D+02 -0.490073D+01  0.389575D+01 -0.159087D+02
      6   0.126815D+02 -0.323306D+01  0.105205D+01  0.279966D+00  0.499523D+01
               266           267           268           269           270 
      1   0.424218D+01 -0.579945D+01  0.459761D+02 -0.965115D+01  0.127643D+02
      2   0.197230D+00  0.221086D+01 -0.295213D+02  0.575659D+01 -0.170571D+02
      3  -0.443941D+01  0.358859D+01 -0.164548D+02  0.389456D+01  0.429281D+01
      4  -0.210946D+02  0.161583D+02 -0.244176D+02  0.208449D+02 -0.283932D+02
      5   0.170116D+02 -0.280349D+02  0.509349D+02 -0.322784D+02  0.782941D+02
      6  -0.602297D+01  0.110796D+02 -0.120226D+02  0.118273D+02 -0.171183D+02
               271           272           273           274           275 
      1   0.203885D+03  0.188790D+02 -0.145417D+02  0.618930D+02  0.192577D+02
      2  -0.108245D+03 -0.110059D+02  0.827648D+01 -0.336557D+02 -0.966554D+01
      3  -0.956404D+02 -0.787305D+01  0.626522D+01 -0.282374D+02 -0.959218D+01
      4   0.162495D+02  0.149258D+02 -0.775598D+00  0.236658D+02  0.137394D+02
      5  -0.155281D+02 -0.899003D+00  0.178756D+02 -0.371078D+01 -0.439090D+01
      6   0.229425D+01  0.656167D-01 -0.109332D+01  0.187361D+00  0.572655D+00
               276           277           278           279 
      1  -0.430697D+01 -0.243952D+02 -0.229157D+01  0.177537D+02
      2   0.294201D+01  0.138115D+02  0.218367D+01 -0.106175D+02
      3   0.136495D+01  0.105836D+02  0.107904D+00 -0.713621D+01
      4  -0.437782D+01 -0.116787D+01 -0.522256D+01 -0.131112D+01
      5   0.470589D+01  0.258571D+02 -0.147429D+01 -0.359715D+01
      6   0.140103D+01 -0.110109D+01  0.251257D+01 -0.200000D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:57:16 2021, MaxMem=  5368709120 cpu:           53478.2 elap:            6701.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.19389 -19.19230 -19.13593 -10.31772 -10.26195
 Alpha  occ. eigenvalues --  -10.25133 -10.21818 -10.21185 -10.21086 -10.20813
 Alpha  occ. eigenvalues --  -10.20659 -10.20504 -10.20423 -10.20395 -10.20216
 Alpha  occ. eigenvalues --  -10.19379 -10.18381  -1.10971  -1.08721  -1.02950
 Alpha  occ. eigenvalues --   -0.89765  -0.85405  -0.80960  -0.79338  -0.75473
 Alpha  occ. eigenvalues --   -0.75096  -0.70627  -0.66874  -0.64908  -0.62253
 Alpha  occ. eigenvalues --   -0.61911  -0.60377  -0.55220  -0.53860  -0.53371
 Alpha  occ. eigenvalues --   -0.51119  -0.48694  -0.48582  -0.46764  -0.46321
 Alpha  occ. eigenvalues --   -0.46168  -0.45562  -0.43693  -0.42966  -0.42812
 Alpha  occ. eigenvalues --   -0.42102  -0.41367  -0.40649  -0.39609  -0.37902
 Alpha  occ. eigenvalues --   -0.36833  -0.36623  -0.35890  -0.35412  -0.34087
 Alpha  occ. eigenvalues --   -0.32550  -0.32383  -0.29998  -0.27783  -0.25549
 Alpha  occ. eigenvalues --   -0.22289
 Alpha virt. eigenvalues --   -0.06352  -0.02869  -0.01847  -0.01482  -0.00612
 Alpha virt. eigenvalues --   -0.00363  -0.00162   0.00833   0.01011   0.01219
 Alpha virt. eigenvalues --    0.01868   0.02231   0.02645   0.03031   0.03732
 Alpha virt. eigenvalues --    0.04556   0.04886   0.05477   0.05951   0.06343
 Alpha virt. eigenvalues --    0.06442   0.07168   0.07315   0.07469   0.07671
 Alpha virt. eigenvalues --    0.07876   0.08170   0.08688   0.08771   0.09165
 Alpha virt. eigenvalues --    0.09225   0.09383   0.09956   0.10506   0.10741
 Alpha virt. eigenvalues --    0.10950   0.11247   0.11387   0.11715   0.11894
 Alpha virt. eigenvalues --    0.12190   0.12557   0.12831   0.13200   0.13486
 Alpha virt. eigenvalues --    0.13593   0.13771   0.14498   0.14688   0.14822
 Alpha virt. eigenvalues --    0.15052   0.15678   0.16010   0.16651   0.17050
 Alpha virt. eigenvalues --    0.17511   0.17895   0.18183   0.18478   0.18966
 Alpha virt. eigenvalues --    0.19152   0.19478   0.20003   0.20130   0.20645
 Alpha virt. eigenvalues --    0.21174   0.21435   0.21858   0.21967   0.22557
 Alpha virt. eigenvalues --    0.22825   0.23065   0.23414   0.23701   0.24011
 Alpha virt. eigenvalues --    0.24628   0.24642   0.25108   0.25358   0.25499
 Alpha virt. eigenvalues --    0.26001   0.26053   0.26343   0.26745   0.27111
 Alpha virt. eigenvalues --    0.27377   0.28002   0.28102   0.28460   0.28622
 Alpha virt. eigenvalues --    0.29058   0.29061   0.29681   0.29712   0.30190
 Alpha virt. eigenvalues --    0.30301   0.30869   0.31326   0.31529   0.32001
 Alpha virt. eigenvalues --    0.32394   0.32812   0.32953   0.33148   0.33455
 Alpha virt. eigenvalues --    0.34062   0.34513   0.34759   0.35030   0.35495
 Alpha virt. eigenvalues --    0.35848   0.36168   0.36822   0.37249   0.37452
 Alpha virt. eigenvalues --    0.38043   0.38208   0.38902   0.39490   0.39894
 Alpha virt. eigenvalues --    0.40056   0.40754   0.41474   0.41800   0.42226
 Alpha virt. eigenvalues --    0.42494   0.42678   0.43246   0.44008   0.44445
 Alpha virt. eigenvalues --    0.45333   0.45655   0.45900   0.46342   0.46706
 Alpha virt. eigenvalues --    0.47604   0.48234   0.48717   0.49016   0.49668
 Alpha virt. eigenvalues --    0.50087   0.50347   0.50660   0.50901   0.51520
 Alpha virt. eigenvalues --    0.51645   0.51792   0.52267   0.53486   0.53636
 Alpha virt. eigenvalues --    0.54244   0.54747   0.54938   0.55372   0.56393
 Alpha virt. eigenvalues --    0.56633   0.56781   0.57111   0.57622   0.57768
 Alpha virt. eigenvalues --    0.58275   0.58555   0.59337   0.59953   0.60473
 Alpha virt. eigenvalues --    0.60617   0.60997   0.61389   0.61780   0.62318
 Alpha virt. eigenvalues --    0.62427   0.63070   0.63825   0.64157   0.64585
 Alpha virt. eigenvalues --    0.65012   0.65110   0.65496   0.65762   0.66160
 Alpha virt. eigenvalues --    0.66560   0.66845   0.67580   0.67962   0.68190
 Alpha virt. eigenvalues --    0.68703   0.68865   0.69499   0.70139   0.70579
 Alpha virt. eigenvalues --    0.70974   0.71700   0.72934   0.73297   0.73538
 Alpha virt. eigenvalues --    0.73842   0.74194   0.74474   0.74676   0.75119
 Alpha virt. eigenvalues --    0.75775   0.75950   0.76157   0.76956   0.77225
 Alpha virt. eigenvalues --    0.77998   0.78554   0.79209   0.79797   0.80205
 Alpha virt. eigenvalues --    0.80463   0.81300   0.81499   0.83095   0.83622
 Alpha virt. eigenvalues --    0.84217   0.84793   0.85123   0.85393   0.86530
 Alpha virt. eigenvalues --    0.87131   0.87895   0.88114   0.89734   0.90394
 Alpha virt. eigenvalues --    0.91287   0.91859   0.92534   0.93633   0.95076
 Alpha virt. eigenvalues --    0.95524   0.96254   0.97715   0.98324   0.98886
 Alpha virt. eigenvalues --    0.99295   1.01160   1.01624   1.02922   1.03367
 Alpha virt. eigenvalues --    1.03928   1.05416   1.06563   1.07723   1.08365
 Alpha virt. eigenvalues --    1.08775   1.09888   1.10675   1.11843   1.12804
 Alpha virt. eigenvalues --    1.13335   1.14679   1.16023   1.17177   1.17851
 Alpha virt. eigenvalues --    1.18711   1.19079   1.19596   1.20386   1.21106
 Alpha virt. eigenvalues --    1.22633   1.24102   1.25133   1.25803   1.26225
 Alpha virt. eigenvalues --    1.27941   1.28859   1.30958   1.31189   1.31888
 Alpha virt. eigenvalues --    1.32335   1.32528   1.34178   1.34821   1.35763
 Alpha virt. eigenvalues --    1.36660   1.38045   1.38323   1.38848   1.39269
 Alpha virt. eigenvalues --    1.41343   1.41717   1.43203   1.43903   1.44082
 Alpha virt. eigenvalues --    1.45190   1.45719   1.46487   1.47819   1.48113
 Alpha virt. eigenvalues --    1.48836   1.49692   1.50152   1.50997   1.51612
 Alpha virt. eigenvalues --    1.52973   1.53804   1.53890   1.54546   1.55074
 Alpha virt. eigenvalues --    1.56049   1.56734   1.57792   1.58347   1.59069
 Alpha virt. eigenvalues --    1.59230   1.60459   1.61778   1.62320   1.63039
 Alpha virt. eigenvalues --    1.63185   1.63792   1.64591   1.64924   1.66281
 Alpha virt. eigenvalues --    1.66705   1.67403   1.67638   1.68285   1.69826
 Alpha virt. eigenvalues --    1.70449   1.72095   1.72298   1.73296   1.73714
 Alpha virt. eigenvalues --    1.74355   1.75324   1.76152   1.77755   1.78433
 Alpha virt. eigenvalues --    1.79872   1.80209   1.81330   1.82078   1.83737
 Alpha virt. eigenvalues --    1.85191   1.85524   1.87030   1.87140   1.88865
 Alpha virt. eigenvalues --    1.89046   1.89913   1.90687   1.91419   1.91695
 Alpha virt. eigenvalues --    1.92798   1.93715   1.94417   1.95322   1.96027
 Alpha virt. eigenvalues --    1.96623   1.97179   1.98450   1.98918   1.99182
 Alpha virt. eigenvalues --    2.00241   2.01138   2.01701   2.03131   2.03895
 Alpha virt. eigenvalues --    2.04376   2.04816   2.05932   2.06488   2.07378
 Alpha virt. eigenvalues --    2.09046   2.09962   2.10649   2.11307   2.12340
 Alpha virt. eigenvalues --    2.12750   2.13283   2.13958   2.15633   2.17345
 Alpha virt. eigenvalues --    2.17647   2.18134   2.20483   2.21800   2.22894
 Alpha virt. eigenvalues --    2.24933   2.25450   2.26097   2.28123   2.28826
 Alpha virt. eigenvalues --    2.30194   2.31021   2.32451   2.32905   2.34885
 Alpha virt. eigenvalues --    2.36290   2.37971   2.38795   2.39762   2.41255
 Alpha virt. eigenvalues --    2.43060   2.43936   2.48736   2.49746   2.51140
 Alpha virt. eigenvalues --    2.52866   2.54362   2.55832   2.58536   2.59821
 Alpha virt. eigenvalues --    2.60620   2.62866   2.63306   2.64370   2.67177
 Alpha virt. eigenvalues --    2.67488   2.71290   2.73111   2.74613   2.75998
 Alpha virt. eigenvalues --    2.79129   2.81810   2.84502   2.84982   2.88829
 Alpha virt. eigenvalues --    2.89309   2.92700   2.94616   2.97837   3.03114
 Alpha virt. eigenvalues --    3.08671   3.17297   3.20484   3.22050   3.35671
 Alpha virt. eigenvalues --    3.35982   3.37121   3.39997   3.40408   3.41453
 Alpha virt. eigenvalues --    3.41934   3.43931   3.46270   3.47796   3.50508
 Alpha virt. eigenvalues --    3.50691   3.52720   3.55003   3.59426   3.68692
 Alpha virt. eigenvalues --    3.73217   3.75041   3.79804   3.82813   3.91013
 Alpha virt. eigenvalues --    4.01402   4.42986   4.66001
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   45.314841 -11.972701  -6.404687   0.213407  -1.912422   1.989212
     2  C  -11.972701  46.729888  -0.144646   1.506208   3.883725  -9.700432
     3  C   -6.404687  -0.144646  35.115141 -12.300470  -0.759893  -2.669061
     4  C    0.213407   1.506208 -12.300470  26.623415  -7.673167   3.257128
     5  C   -1.912422   3.883725  -0.759893  -7.673167  37.130947 -20.992348
     6  C    1.989212  -9.700432  -2.669061   3.257128 -20.992348  39.638022
     7  C   -9.207273  -6.780965  -2.051753  -3.497392  -0.455684  -0.216731
     8  H    1.052422  -0.850529  -4.380661   1.092201   0.405429  -0.148658
     9  H    0.098751  -0.832725   0.121035   0.582386  -4.892790   2.944875
    10  H   -0.988787   0.796291  -0.022368  -0.508262   2.873535  -4.914551
    11  C    0.802821  -0.894068  -0.750255  -3.597463  -3.228061   1.601373
    12  C    0.003868   0.053319  -0.330919  -0.322959  -0.143136  -0.032463
    13  C   -0.104385   0.009614  -0.442569   0.592223  -0.377600  -0.049836
    14  H   -0.133606  -0.038161   0.155975   0.019396   0.181246   0.056228
    15  H    0.091027  -0.042528  -0.143016  -0.266033  -0.003474   0.053318
    16  H   -0.063551   0.026684  -0.019028   0.942674  -0.123435  -0.017026
    17  H   -0.014122  -0.006088   0.287144  -0.888747   0.137989   0.001453
    18  O   -0.026232   0.018796   0.117114  -0.025565   0.019491  -0.015740
    19  O   -0.022208  -0.031960   0.126886  -0.245655  -0.011402   0.046611
    20  H    0.003174  -0.039923  -0.032604   0.110580  -0.004191   0.000789
    21  C    1.150563 -11.817531  -0.511081  -0.017084   0.335743  -0.435246
    22  C  -10.277123   0.743665  -0.724132   0.461624   0.099094  -0.382934
    23  C   -6.136053  -7.609328  -0.257239  -0.435180   1.069373  -6.134779
    24  O    0.278618  -0.298765   0.005047   0.018778  -0.049681  -0.059891
    25  C   -0.069446   0.128873  -0.024354   0.028902  -0.021792   0.021893
    26  H    2.107505  -0.613915   0.317111   0.128410   0.004184  -0.073616
    27  H   -0.490843   0.157875  -0.208469   0.008074   0.021761   0.045320
    28  H   -0.507359   1.966189  -0.081326   0.106825   0.062254   0.629367
    29  H   -0.017676  -0.109691   0.000018  -0.001401   0.000913   0.007903
    30  H   -0.018624  -0.118121   0.001071  -0.003668   0.002127   0.008617
    31  H    0.014996   0.210887  -0.002201   0.005753  -0.006646  -0.012963
               7          8          9         10         11         12
     1  C   -9.207273   1.052422   0.098751  -0.988787   0.802821   0.003868
     2  C   -6.780965  -0.850529  -0.832725   0.796291  -0.894068   0.053319
     3  C   -2.051753  -4.380661   0.121035  -0.022368  -0.750255  -0.330919
     4  C   -3.497392   1.092201   0.582386  -0.508262  -3.597463  -0.322959
     5  C   -0.455684   0.405429  -4.892790   2.873535  -3.228061  -0.143136
     6  C   -0.216731  -0.148658   2.944875  -4.914551   1.601373  -0.032463
     7  C   50.202876   0.757167   0.153978  -0.366147   0.203924  -0.103756
     8  H    0.757167   4.629980  -0.056182   0.004953  -0.088918   0.031840
     9  H    0.153978  -0.056182   4.095751  -0.346975   0.690436   0.028895
    10  H   -0.366147   0.004953  -0.346975   3.804546  -0.036196   0.007200
    11  C    0.203924  -0.088918   0.690436  -0.036196  14.933813   0.183042
    12  C   -0.103756   0.031840   0.028895   0.007200   0.183042   4.947248
    13  C   -0.007288   0.058056   0.011934   0.000670  -1.977735  -0.088515
    14  H    0.032484   0.003790  -0.186859   0.003127  -1.651797   0.238388
    15  H   -0.018106  -0.133222   0.006379  -0.000747  -0.200566   0.541598
    16  H    0.002043   0.030217   0.004828   0.000464  -0.390221  -0.254939
    17  H   -0.013937   0.013069  -0.009286   0.003023   0.670089   0.014010
    18  O   -0.005695  -0.011345   0.000546  -0.000087  -0.175539   0.070522
    19  O    0.005175   0.016152  -0.000328   0.001746   0.422830  -0.017039
    20  H    0.022471  -0.009785  -0.012852  -0.000748  -0.181784   0.011469
    21  C   -9.109373   0.207215  -0.015709   0.150260  -0.001429  -0.011561
    22  C    1.691407   0.020871  -0.007873   0.233032   0.131838   0.009088
    23  C  -11.694781  -0.084004  -0.261172   1.619754  -0.607258  -0.014747
    24  O   -0.111093   0.000052   0.000291  -0.008896  -0.000154  -0.000040
    25  C   -0.058551  -0.001625  -0.000390  -0.001055   0.002825   0.000119
    26  H   -4.789548  -0.418228   0.006218   0.000677   0.030845   0.008655
    27  H    0.957445   0.028086  -0.002369   0.003508  -0.006940  -0.000844
    28  H    0.264919   0.001626  -0.004757  -0.252182   0.004244  -0.000321
    29  H    0.115466  -0.000901   0.000105  -0.001051   0.000239   0.000029
    30  H    0.125796  -0.000690   0.000136  -0.001134   0.000150   0.000015
    31  H   -0.098718  -0.000204  -0.000196   0.002265   0.000241   0.000016
              13         14         15         16         17         18
     1  C   -0.104385  -0.133606   0.091027  -0.063551  -0.014122  -0.026232
     2  C    0.009614  -0.038161  -0.042528   0.026684  -0.006088   0.018796
     3  C   -0.442569   0.155975  -0.143016  -0.019028   0.287144   0.117114
     4  C    0.592223   0.019396  -0.266033   0.942674  -0.888747  -0.025565
     5  C   -0.377600   0.181246  -0.003474  -0.123435   0.137989   0.019491
     6  C   -0.049836   0.056228   0.053318  -0.017026   0.001453  -0.015740
     7  C   -0.007288   0.032484  -0.018106   0.002043  -0.013937  -0.005695
     8  H    0.058056   0.003790  -0.133222   0.030217   0.013069  -0.011345
     9  H    0.011934  -0.186859   0.006379   0.004828  -0.009286   0.000546
    10  H    0.000670   0.003127  -0.000747   0.000464   0.003023  -0.000087
    11  C   -1.977735  -1.651797  -0.200566  -0.390221   0.670089  -0.175539
    12  C   -0.088515   0.238388   0.541598  -0.254939   0.014010   0.070522
    13  C    7.814757   0.140613  -0.034394   0.071835  -0.127314   0.106465
    14  H    0.140613   2.726983   0.125887  -0.025843  -0.062344   0.049388
    15  H   -0.034394   0.125887   2.001605  -0.458480  -0.341581   0.042266
    16  H    0.071835  -0.025843  -0.458480   2.119718  -0.469768  -0.022681
    17  H   -0.127314  -0.062344  -0.341581  -0.469768   2.108492   0.019559
    18  O    0.106465   0.049388   0.042266  -0.022681   0.019559   8.474655
    19  O   -0.438526   0.001546   0.008105  -0.006881   0.007897  -0.079195
    20  H    0.052539   0.033536   0.004275   0.001099  -0.003289   0.008487
    21  C    0.004457   0.004866   0.001654  -0.001558   0.000224  -0.001083
    22  C    0.003985   0.000822  -0.000422   0.000670   0.001970  -0.000357
    23  C   -0.015888  -0.018934  -0.004367   0.001833  -0.007726   0.002418
    24  O   -0.000085  -0.000118   0.000078  -0.000013  -0.000009   0.000001
    25  C    0.000026   0.000118   0.000016   0.000003   0.000055  -0.000001
    26  H    0.002867  -0.002623   0.013502  -0.001499  -0.000374  -0.000046
    27  H   -0.000929  -0.000207  -0.001199   0.000033   0.000164   0.000034
    28  H   -0.000100   0.000848  -0.000116   0.000092  -0.000318   0.000012
    29  H    0.000037   0.000013   0.000032  -0.000000  -0.000001  -0.000000
    30  H    0.000008   0.000007   0.000016   0.000003   0.000002  -0.000000
    31  H    0.000002   0.000010  -0.000002   0.000001   0.000004  -0.000000
              19         20         21         22         23         24
     1  C   -0.022208   0.003174   1.150563 -10.277123  -6.136053   0.278618
     2  C   -0.031960  -0.039923 -11.817531   0.743665  -7.609328  -0.298765
     3  C    0.126886  -0.032604  -0.511081  -0.724132  -0.257239   0.005047
     4  C   -0.245655   0.110580  -0.017084   0.461624  -0.435180   0.018778
     5  C   -0.011402  -0.004191   0.335743   0.099094   1.069373  -0.049681
     6  C    0.046611   0.000789  -0.435246  -0.382934  -6.134779  -0.059891
     7  C    0.005175   0.022471  -9.109373   1.691407 -11.694781  -0.111093
     8  H    0.016152  -0.009785   0.207215   0.020871  -0.084004   0.000052
     9  H   -0.000328  -0.012852  -0.015709  -0.007873  -0.261172   0.000291
    10  H    0.001746  -0.000748   0.150260   0.233032   1.619754  -0.008896
    11  C    0.422830  -0.181784  -0.001429   0.131838  -0.607258  -0.000154
    12  C   -0.017039   0.011469  -0.011561   0.009088  -0.014747  -0.000040
    13  C   -0.438526   0.052539   0.004457   0.003985  -0.015888  -0.000085
    14  H    0.001546   0.033536   0.004866   0.000822  -0.018934  -0.000118
    15  H    0.008105   0.004275   0.001654  -0.000422  -0.004367   0.000078
    16  H   -0.006881   0.001099  -0.001558   0.000670   0.001833  -0.000013
    17  H    0.007897  -0.003289   0.000224   0.001970  -0.007726  -0.000009
    18  O   -0.079195   0.008487  -0.001083  -0.000357   0.002418   0.000001
    19  O    8.480341   0.196835   0.001424  -0.001213  -0.004016   0.000005
    20  H    0.196835   0.690648   0.002073   0.000559  -0.012666  -0.000008
    21  C    0.001424   0.002073  28.920642  -5.156934   2.283759   1.164773
    22  C   -0.001213   0.000559  -5.156934  25.108416  -6.168288  -1.592898
    23  C   -0.004016  -0.012666   2.283759  -6.168288  44.502721   0.247223
    24  O    0.000005  -0.000008   1.164773  -1.592898   0.247223   9.498948
    25  C    0.000017  -0.000055  -0.050833   0.132196  -0.257446   0.171034
    26  H   -0.002575  -0.000239   2.201576  -0.520760   0.139649   0.005558
    27  H    0.000139   0.000043  -3.388094   1.229951   0.082270  -0.187139
    28  H   -0.000172   0.000534  -0.347115   1.098977  -4.343706  -0.126615
    29  H   -0.000003  -0.000002   0.190458  -0.471422   0.184553   0.186840
    30  H   -0.000004   0.000015   0.210876  -0.499391   0.185209   0.189993
    31  H    0.000003  -0.000007  -0.413801   1.118047  -0.456008  -0.658198
              25         26         27         28         29         30
     1  C   -0.069446   2.107505  -0.490843  -0.507359  -0.017676  -0.018624
     2  C    0.128873  -0.613915   0.157875   1.966189  -0.109691  -0.118121
     3  C   -0.024354   0.317111  -0.208469  -0.081326   0.000018   0.001071
     4  C    0.028902   0.128410   0.008074   0.106825  -0.001401  -0.003668
     5  C   -0.021792   0.004184   0.021761   0.062254   0.000913   0.002127
     6  C    0.021893  -0.073616   0.045320   0.629367   0.007903   0.008617
     7  C   -0.058551  -4.789548   0.957445   0.264919   0.115466   0.125796
     8  H   -0.001625  -0.418228   0.028086   0.001626  -0.000901  -0.000690
     9  H   -0.000390   0.006218  -0.002369  -0.004757   0.000105   0.000136
    10  H   -0.001055   0.000677   0.003508  -0.252182  -0.001051  -0.001134
    11  C    0.002825   0.030845  -0.006940   0.004244   0.000239   0.000150
    12  C    0.000119   0.008655  -0.000844  -0.000321   0.000029   0.000015
    13  C    0.000026   0.002867  -0.000929  -0.000100   0.000037   0.000008
    14  H    0.000118  -0.002623  -0.000207   0.000848   0.000013   0.000007
    15  H    0.000016   0.013502  -0.001199  -0.000116   0.000032   0.000016
    16  H    0.000003  -0.001499   0.000033   0.000092  -0.000000   0.000003
    17  H    0.000055  -0.000374   0.000164  -0.000318  -0.000001   0.000002
    18  O   -0.000001  -0.000046   0.000034   0.000012  -0.000000  -0.000000
    19  O    0.000017  -0.002575   0.000139  -0.000172  -0.000003  -0.000004
    20  H   -0.000055  -0.000239   0.000043   0.000534  -0.000002   0.000015
    21  C   -0.050833   2.201576  -3.388094  -0.347115   0.190458   0.210876
    22  C    0.132196  -0.520760   1.229951   1.098977  -0.471422  -0.499391
    23  C   -0.257446   0.139649   0.082270  -4.343706   0.184553   0.185209
    24  O    0.171034   0.005558  -0.187139  -0.126615   0.186840   0.189993
    25  C    4.029410   0.020641  -0.065721   0.049320   0.325057   0.327402
    26  H    0.020641   3.899109  -0.407562   0.013175   0.006658   0.006145
    27  H   -0.065721  -0.407562   4.651024  -0.051919  -0.101904  -0.101670
    28  H    0.049320   0.013175  -0.051919   3.559239   0.014774   0.015062
    29  H    0.325057   0.006658  -0.101904   0.014774   1.656971  -0.142070
    30  H    0.327402   0.006145  -0.101670   0.015062  -0.142070   1.658883
    31  H   -0.032708  -0.001528   0.053776  -0.024664  -0.631141  -0.632958
              31
     1  C    0.014996
     2  C    0.210887
     3  C   -0.002201
     4  C    0.005753
     5  C   -0.006646
     6  C   -0.012963
     7  C   -0.098718
     8  H   -0.000204
     9  H   -0.000196
    10  H    0.002265
    11  C    0.000241
    12  C    0.000016
    13  C    0.000002
    14  H    0.000010
    15  H   -0.000002
    16  H    0.000001
    17  H    0.000004
    18  O   -0.000000
    19  O    0.000003
    20  H   -0.000007
    21  C   -0.413801
    22  C    1.118047
    23  C   -0.456008
    24  O   -0.658198
    25  C   -0.032708
    26  H   -0.001528
    27  H    0.053776
    28  H   -0.024664
    29  H   -0.631141
    30  H   -0.632958
    31  H    3.192132
 Mulliken charges:
               1
     1  C    1.245893
     2  C    1.670061
     3  C    2.014190
     4  C    0.085064
     5  C    0.427909
     6  C    1.554165
     7  C    0.051641
     8  H   -1.168173
     9  H   -1.116080
    10  H   -1.055865
    11  C    0.109670
    12  C    1.171917
    13  C    0.795077
    14  H   -0.654780
    15  H   -0.241505
    16  H   -0.347274
    17  H   -0.320238
    18  O   -0.566187
    19  O   -0.454534
    20  H    0.159027
    21  C    0.447869
    22  C   -0.282464
    23  C    0.204827
    24  O   -0.673636
    25  C    1.346071
    26  H   -1.079971
    27  H   -1.223691
    28  H   -1.046787
    29  H   -0.212802
    30  H   -0.213201
    31  H   -0.626191
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.245893
     2  C    1.670061
     3  C    0.846016
     4  C    0.085064
     5  C   -0.688172
     6  C    0.498300
     7  C   -1.028330
    11  C   -0.545110
    12  C    0.262900
    13  C    0.795077
    18  O   -0.566187
    19  O   -0.295507
    21  C   -0.775822
    22  C   -0.282464
    23  C   -0.841960
    24  O   -0.673636
    25  C    0.293877
 Electronic spatial extent (au):  <R**2>=           5468.3983
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              5.0494    Y=              1.4663    Z=              0.9247  Tot=              5.3387
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -108.6248   YY=            -96.6693   ZZ=           -103.7153
   XY=            -20.4750   XZ=             -3.5186   YZ=             -4.5716
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -5.6217   YY=              6.3339   ZZ=             -0.7122
   XY=            -20.4750   XZ=             -3.5186   YZ=             -4.5716
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            203.3854  YYY=              3.0120  ZZZ=             -5.6677  XYY=             20.5761
  XXY=             25.7199  XXZ=             22.1474  XZZ=             -0.9089  YZZ=             -0.7692
  YYZ=             -0.3625  XYZ=              6.8034
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5981.9241 YYYY=           -805.4534 ZZZZ=           -454.4973 XXXY=           -466.0933
 XXXZ=            -41.7649 YYYX=             -5.7725 YYYZ=            -19.8838 ZZZX=              2.7911
 ZZZY=              2.5054 XXYY=          -1168.9827 XXZZ=          -1099.5492 YYZZ=           -226.3674
 XXYZ=            -37.3840 YYXZ=             -6.6747 ZZXY=             -5.1247
 N-N= 1.134400571393D+03 E-N=-4.056836089782D+03  KE= 7.634237825978D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:57:17 2021, MaxMem=  5368709120 cpu:               3.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.99435487D+00 5.71604927D-01 3.45983293D-01
 Polarizability= 2.74145954D+02-1.38066658D+01 1.62745326D+02
                -8.23186857D+00-1.03438991D+01 1.13471925D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        4.0634    4.0640       -9.7421   -9.7454
 2     -4.0634   -4.0640        5.8146    5.8144      -66.3238  -66.3278
 3      9.7421    9.7454       94.6743   94.6815       -5.8154   -5.8144
 4     -5.8146   -5.8144        0.0000    0.0000        9.7441    9.7454
 5    -28.3505  -28.3538       -9.7441   -9.7454        4.0669    4.0640
 6      5.8154    5.8144       -4.0669   -4.0640        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000      -12.1921  -12.1921      -29.2362  -29.2362
 2    -17.4433  -17.4433       -0.0000    0.0000      -29.2362  -29.2362
 3    -17.4433  -17.4433      -12.1921  -12.1921       -0.0000    0.0000
 4    -12.1921  -12.1921       17.4433   17.4433     -198.9833 -198.9833
 5     29.2362   29.2362      284.0446  284.0446      -17.4433  -17.4433
 6    -85.0613  -85.0613      -29.2362  -29.2362       12.1921   12.1921
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1512    0.0000      -16.0565  -16.2561       38.8108   38.9816
 2     16.1749   16.2561      -23.4617  -23.2578      265.3982  265.3110
 3    -39.1036  -38.9816     -378.7813 -378.7261       23.3033   23.2578
 4     23.1415   23.2578        0.0764    0.0000      -39.0762  -38.9816
 5    113.0474  113.4150       39.1208   38.9816      -16.3601  -16.2561
 6    -23.5225  -23.2578       16.7924   16.2561        0.0722    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.3370    0.0000      141.1148  140.9591      -20.0615  -20.0085
 2   -141.0660 -140.9591      -87.7273  -87.1493       21.0762   20.8620
 3     19.8771   20.0085       54.9857   55.2229       86.1647   87.1493
 4     87.0061   87.1493        0.2204    0.0000       20.2724   20.0085
 5    -76.3907  -76.0849      -19.5615  -20.0085      140.6436  140.9591
 6    -87.1669  -87.1493     -141.1710 -140.9591        0.0022    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      7.0228    6.9942      121.2755  121.3609       69.6389   69.7325
 2    165.2375  165.4637      245.2075  244.8233       69.7633   69.7325
 3    165.2572  165.4637      121.8807  121.3609       73.1109   73.0189
 4   -123.5019 -123.4624     -158.9447 -158.4695       34.2369   34.5567
 5      3.2733    3.2863       94.4722   94.4968      158.5661  158.4695
 6   -129.5561 -129.0535       -2.4145   -3.2863      123.4750  123.4624
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.6085   -3.1447   -0.5678   -0.0009   -0.0004    0.0006
 Low frequencies ---   21.7276   33.7590   43.3801
 Diagonal vibrational polarizability:
      172.2891253      88.3924707     197.8956684
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     21.7222                33.7555                43.3794
 Red. masses --      4.8062                 6.9125                 4.4643
 Frc consts  --      0.0013                 0.0046                 0.0049
 IR Inten    --      4.9040                 4.2923                 0.6151
 RamAct Fr= 1--      4.8949                 3.8445                 1.8586
  Dep-P Fr= 1--      0.7436                 0.7489                 0.7389
  Dep-U Fr= 1--      0.8529                 0.8564                 0.8498
 Alpha2 Fr= 1--      0.0005                 0.0001                 0.0004
 Beta2  Fr= 1--      0.6958                 0.5487                 0.2633
 AlphaG Fr= 1--      0.0006                 0.0043                -0.0024
 Gamma2 Fr= 1--      1.3734                -0.3331                 1.6218
 Delta2 Fr= 1--      1.3986                -0.7697                 0.2353
 Raman1 Fr= 1--      19.580                 15.378                  7.435
 ROA1   Fr= 1--     176.602                -56.607                163.226
 CID1   Fr= 1--       9.020                 -3.681                 21.955
 Raman2 Fr= 1--       8.350                  6.585                  3.159
 ROA2   Fr= 1--      21.773                 -1.836                 37.042
 CID2   Fr= 1--       2.607                 -0.279                 11.726
 Raman3 Fr= 1--      16.700                 13.170                  6.318
 ROA3   Fr= 1--     176.602                -56.607                163.226
 CID3   Fr= 1--      10.575                 -4.298                 25.835
 RC180  Fr= 1--       0.706                  0.713                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.09    -0.02   0.01   0.06     0.01  -0.04  -0.13
     2   6     0.01   0.03   0.05    -0.01  -0.01  -0.03     0.01  -0.03  -0.10
     3   6    -0.02   0.00  -0.14    -0.01   0.03   0.08     0.01  -0.05  -0.11
     4   6    -0.00   0.03  -0.07    -0.01   0.02   0.03     0.01  -0.04  -0.05
     5   6     0.02   0.06   0.07    -0.01  -0.00  -0.06     0.01  -0.03  -0.06
     6   6     0.02   0.05   0.12    -0.01  -0.02  -0.09     0.00  -0.03  -0.08
     7   6    -0.03  -0.03  -0.17    -0.02   0.02   0.12     0.02  -0.04  -0.12
     8   1    -0.04  -0.02  -0.24    -0.02   0.05   0.14     0.02  -0.05  -0.11
     9   1     0.03   0.08   0.13    -0.01  -0.01  -0.10     0.00  -0.03  -0.03
    10   1     0.04   0.08   0.23    -0.01  -0.04  -0.16    -0.00  -0.03  -0.08
    11   6    -0.01   0.04  -0.09    -0.01   0.01   0.03     0.02  -0.02   0.05
    12   6    -0.03   0.23  -0.07    -0.02  -0.04   0.02     0.14  -0.08   0.08
    13   6     0.03  -0.08   0.05     0.06   0.01  -0.01    -0.08   0.04   0.05
    14   1    -0.00  -0.01  -0.21    -0.02   0.01   0.04     0.01   0.02   0.14
    15   1    -0.03   0.28   0.04    -0.03  -0.06  -0.01     0.15  -0.12  -0.00
    16   1    -0.03   0.25  -0.07    -0.02  -0.05   0.01     0.15  -0.05   0.17
    17   1    -0.03   0.30  -0.18    -0.03  -0.06   0.05     0.22  -0.12   0.10
    18   8     0.14  -0.17   0.18     0.30  -0.28   0.07    -0.07   0.06   0.09
    19   8    -0.07  -0.08   0.00    -0.13   0.35  -0.16    -0.18   0.09  -0.01
    20   1    -0.13  -0.00  -0.11    -0.25   0.53  -0.23    -0.17   0.07  -0.05
    21   6    -0.03  -0.03  -0.12    -0.02   0.01   0.09     0.02  -0.01  -0.06
    22   6    -0.01  -0.01   0.03    -0.02  -0.02  -0.01     0.02   0.00  -0.01
    23   6     0.01   0.02   0.10    -0.01  -0.03  -0.07     0.01  -0.01  -0.04
    24   8     0.00  -0.00   0.09    -0.02  -0.04  -0.05     0.02   0.04   0.09
    25   6    -0.02  -0.03   0.02    -0.03  -0.04   0.01     0.04   0.09   0.28
    26   1    -0.05  -0.05  -0.28    -0.02   0.04   0.20     0.03  -0.05  -0.16
    27   1    -0.04  -0.06  -0.18    -0.03   0.01   0.14     0.03  -0.00  -0.05
    28   1     0.03   0.04   0.21    -0.01  -0.05  -0.14     0.01   0.00  -0.01
    29   1     0.00   0.04  -0.07    -0.05  -0.09   0.08     0.19   0.04   0.31
    30   1    -0.05  -0.13  -0.02    -0.01   0.04   0.04    -0.09   0.15   0.30
    31   1    -0.01  -0.03   0.09    -0.03  -0.06  -0.04     0.05   0.13   0.41
                      4                      5                      6
                      A                      A                      A
 Frequencies --     76.2641               113.4371               138.8649
 Red. masses --      3.9031                 4.6318                 4.1208
 Frc consts  --      0.0134                 0.0351                 0.0468
 IR Inten    --      3.9924                 0.1951                 0.1777
 RamAct Fr= 1--      1.3201                 1.3959                 1.8466
  Dep-P Fr= 1--      0.7113                 0.4655                 0.7189
  Dep-U Fr= 1--      0.8313                 0.6353                 0.8364
 Alpha2 Fr= 1--      0.0009                 0.0080                 0.0010
 Beta2  Fr= 1--      0.1829                 0.1478                 0.2574
 AlphaG Fr= 1--      0.0140                -0.0234                 0.0045
 Gamma2 Fr= 1--     -0.2086                -0.9339                 2.9278
 Delta2 Fr= 1--      0.2671                -0.6762                 1.6987
 Raman1 Fr= 1--       5.280                  5.584                  7.386
 ROA1   Fr= 1--     -11.477               -111.291                335.431
 CID1   Fr= 1--      -2.173                -19.931                 45.412
 Raman2 Fr= 1--       2.195                  1.774                  3.089
 ROA2   Fr= 1--      -7.143                -17.003                 56.678
 CID2   Fr= 1--      -3.255                 -9.587                 18.348
 Raman3 Fr= 1--       4.389                  3.547                  6.178
 ROA3   Fr= 1--     -11.477               -111.291                335.431
 CID3   Fr= 1--      -2.615                -31.375                 54.292
 RC180  Fr= 1--       0.663                  0.271                  0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.00    -0.04   0.07  -0.08    -0.00  -0.08  -0.02
     2   6    -0.01   0.01  -0.02    -0.02   0.06  -0.09    -0.02  -0.09  -0.09
     3   6    -0.01   0.03   0.05    -0.03   0.10  -0.03    -0.00  -0.05   0.10
     4   6    -0.01   0.04   0.08    -0.02   0.10  -0.00     0.00  -0.04   0.12
     5   6    -0.00   0.04   0.10    -0.02   0.08  -0.08    -0.01  -0.07  -0.01
     6   6    -0.01   0.03   0.05    -0.02   0.06  -0.12    -0.02  -0.10  -0.11
     7   6    -0.03  -0.01  -0.06    -0.09   0.03  -0.09     0.02  -0.08  -0.09
     8   1    -0.02   0.03   0.04    -0.03   0.11  -0.00    -0.01  -0.04   0.15
     9   1     0.00   0.05   0.14    -0.02   0.09  -0.09    -0.01  -0.08  -0.03
    10   1    -0.00   0.03   0.06    -0.02   0.05  -0.16    -0.02  -0.12  -0.19
    11   6    -0.01   0.02   0.03     0.00   0.01   0.07    -0.01   0.03   0.06
    12   6    -0.09   0.02   0.01     0.12  -0.16   0.09    -0.18   0.13   0.02
    13   6     0.07  -0.01   0.00     0.09  -0.02   0.04     0.03   0.04   0.03
    14   1    -0.02   0.00  -0.00    -0.11  -0.01   0.16     0.07   0.03  -0.02
    15   1    -0.08   0.04   0.04     0.26  -0.14  -0.02    -0.27   0.15   0.14
    16   1    -0.09  -0.02  -0.05     0.13  -0.31   0.15    -0.20   0.18  -0.11
    17   1    -0.15   0.04   0.02     0.05  -0.17   0.14    -0.23   0.16   0.01
    18   8     0.06  -0.03  -0.05     0.09  -0.04  -0.01     0.03   0.02  -0.04
    19   8     0.16  -0.02   0.05     0.18  -0.04   0.09     0.09   0.09   0.05
    20   1     0.15  -0.00   0.09     0.17  -0.01   0.13     0.09   0.10   0.10
    21   6    -0.03  -0.03  -0.12    -0.09   0.00  -0.04     0.02  -0.05  -0.09
    22   6    -0.03  -0.04  -0.13    -0.05   0.00   0.03     0.00  -0.01  -0.01
    23   6    -0.02  -0.02  -0.09    -0.01   0.02  -0.03    -0.03  -0.06  -0.07
    24   8    -0.03  -0.06  -0.19    -0.03  -0.03   0.19     0.01   0.10   0.19
    25   6    -0.01   0.04   0.26    -0.11  -0.14  -0.00     0.06   0.10  -0.05
    26   1    -0.04  -0.00  -0.05    -0.13   0.04  -0.12     0.05  -0.10  -0.12
    27   1    -0.04  -0.05  -0.16    -0.11  -0.01  -0.02     0.04  -0.04  -0.12
    28   1    -0.01  -0.03  -0.09     0.03   0.01  -0.01    -0.05  -0.04  -0.06
    29   1     0.18  -0.16   0.43    -0.17   0.01  -0.16     0.14   0.28  -0.28
    30   1    -0.20   0.30   0.35    -0.15  -0.33  -0.08     0.03  -0.18  -0.16
    31   1    -0.00   0.05   0.34    -0.08  -0.19   0.08     0.04   0.21   0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    184.4744               202.9675               219.6740
 Red. masses --      3.3745                 3.9677                 1.0781
 Frc consts  --      0.0677                 0.0963                 0.0307
 IR Inten    --      0.9195                 1.8739                 0.3439
 RamAct Fr= 1--      0.1008                 1.6861                 0.2518
  Dep-P Fr= 1--      0.3430                 0.5613                 0.2939
  Dep-U Fr= 1--      0.5108                 0.7191                 0.4543
 Alpha2 Fr= 1--      0.0009                 0.0060                 0.0026
 Beta2  Fr= 1--      0.0086                 0.2021                 0.0191
 AlphaG Fr= 1--      0.0084                 0.0030                 0.0016
 Gamma2 Fr= 1--     -0.4350                -2.7609                 0.0815
 Delta2 Fr= 1--      0.0866                -1.4050                -0.0132
 Raman1 Fr= 1--       0.403                  6.744                  1.007
 ROA1   Fr= 1--     -38.986               -310.005                  7.398
 CID1   Fr= 1--     -96.681                -45.966                  7.344
 Raman2 Fr= 1--       0.103                  2.425                  0.229
 ROA2   Fr= 1--     -11.133                -55.021                  2.061
 CID2   Fr= 1--    -108.085                -22.692                  9.008
 Raman3 Fr= 1--       0.206                  4.849                  0.458
 ROA3   Fr= 1--     -38.986               -310.005                  7.398
 CID3   Fr= 1--    -189.257                -63.926                 16.167
 RC180  Fr= 1--       0.022                  0.438                 -0.091
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.14    -0.07  -0.09   0.01    -0.01  -0.00   0.00
     2   6    -0.02  -0.05  -0.14    -0.06  -0.08   0.07    -0.01  -0.00   0.00
     3   6    -0.02  -0.05  -0.18    -0.07  -0.03  -0.06    -0.01   0.00  -0.00
     4   6    -0.00  -0.00   0.01    -0.01   0.02  -0.08     0.00   0.01  -0.00
     5   6     0.01   0.05   0.20     0.00   0.00  -0.09     0.00   0.01  -0.00
     6   6     0.00   0.01   0.06     0.01  -0.05  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.05    -0.07  -0.09   0.01    -0.01  -0.00   0.00
     8   1    -0.03  -0.07  -0.28    -0.14  -0.01  -0.07    -0.01   0.00  -0.01
     9   1     0.03   0.10   0.42     0.02   0.00  -0.14     0.00   0.01  -0.00
    10   1     0.01   0.03   0.16     0.07  -0.07   0.01     0.01  -0.00  -0.00
    11   6    -0.00   0.01   0.01     0.02   0.06  -0.01     0.00   0.02  -0.01
    12   6    -0.01   0.02   0.01     0.19   0.06   0.04    -0.01  -0.03  -0.02
    13   6     0.02   0.01   0.01     0.06   0.04   0.00     0.01   0.02  -0.00
    14   1     0.00   0.01   0.00    -0.02   0.05   0.02     0.02   0.03   0.01
    15   1    -0.00   0.03   0.02     0.35   0.13   0.02    -0.47  -0.34  -0.21
    16   1    -0.01   0.01  -0.00     0.21  -0.06   0.17    -0.04   0.52   0.03
    17   1    -0.03   0.03   0.00     0.17   0.12  -0.04     0.47  -0.31   0.12
    18   8     0.01   0.00  -0.01     0.07   0.02  -0.02     0.03   0.01   0.03
    19   8     0.04   0.01   0.01     0.12   0.04   0.03     0.02  -0.02   0.01
    20   1     0.04   0.01   0.03     0.11   0.05   0.06     0.01  -0.01  -0.01
    21   6     0.01   0.04   0.20    -0.05  -0.08   0.04    -0.01  -0.01   0.00
    22   6    -0.01  -0.01   0.01    -0.08  -0.07   0.06    -0.01  -0.01   0.00
    23   6    -0.02  -0.05  -0.18    -0.08  -0.07   0.14    -0.01  -0.01   0.00
    24   8    -0.01   0.02   0.04    -0.11   0.04  -0.07    -0.01   0.00   0.00
    25   6     0.00   0.02  -0.02     0.05   0.19  -0.05     0.00   0.02  -0.00
    26   1     0.01   0.02   0.14    -0.07  -0.10  -0.01    -0.01  -0.00   0.00
    27   1     0.03   0.10   0.44    -0.04  -0.08   0.02    -0.01  -0.01   0.00
    28   1    -0.03  -0.07  -0.26    -0.08  -0.06   0.17    -0.01  -0.01  -0.00
    29   1    -0.17  -0.06   0.11     0.06   0.06   0.09     0.01   0.02  -0.01
    30   1     0.21   0.14   0.04     0.24   0.34   0.02     0.00   0.01  -0.01
    31   1    -0.02  -0.03  -0.28    -0.03   0.30  -0.25    -0.00   0.03  -0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    232.5275               252.8526               278.9220
 Red. masses --      1.5312                 2.6408                 2.7921
 Frc consts  --      0.0488                 0.0995                 0.1280
 IR Inten    --      0.3953                 4.3300                 1.5316
 RamAct Fr= 1--      1.7688                 4.4223                 3.4633
  Dep-P Fr= 1--      0.7402                 0.1331                 0.3728
  Dep-U Fr= 1--      0.8507                 0.2349                 0.5431
 Alpha2 Fr= 1--      0.0003                 0.0713                 0.0282
 Beta2  Fr= 1--      0.2508                 0.1731                 0.3135
 AlphaG Fr= 1--     -0.0002                -0.0246                 0.0711
 Gamma2 Fr= 1--      1.3263                -0.9643                 1.5806
 Delta2 Fr= 1--      0.1655                 0.0133                 0.2929
 Raman1 Fr= 1--       7.075                 17.689                 13.853
 ROA1   Fr= 1--     132.623                -92.141                161.106
 CID1   Fr= 1--      18.745                 -5.209                 11.630
 Raman2 Fr= 1--       3.009                  2.077                  3.762
 ROA2   Fr= 1--      30.508                -23.249                 35.590
 CID2   Fr= 1--      10.138                -11.192                  9.460
 Raman3 Fr= 1--       6.019                  4.154                  7.524
 ROA3   Fr= 1--     132.623                -92.141                161.106
 CID3   Fr= 1--      22.035                -22.179                 21.412
 RC180  Fr= 1--       0.701                 -0.530                  0.086
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.05    -0.01   0.02   0.00     0.00   0.01   0.10
     2   6    -0.01  -0.01  -0.01     0.03  -0.00  -0.01    -0.02  -0.01  -0.01
     3   6    -0.01   0.03   0.02    -0.02   0.09   0.03     0.02   0.02   0.16
     4   6     0.00   0.03  -0.01    -0.01   0.10   0.02     0.03  -0.01   0.02
     5   6     0.02   0.04   0.05     0.04   0.08  -0.01     0.00   0.00   0.06
     6   6     0.02   0.02   0.05     0.05   0.03  -0.02    -0.00   0.01   0.06
     7   6    -0.02  -0.00   0.07    -0.04  -0.01  -0.03    -0.00  -0.01  -0.01
     8   1    -0.04   0.04   0.02    -0.05   0.11   0.05     0.01   0.04   0.23
     9   1     0.03   0.06   0.08     0.08   0.11  -0.03    -0.01  -0.00   0.07
    10   1     0.04   0.01   0.07     0.09   0.01  -0.04     0.01   0.01   0.08
    11   6     0.01   0.01  -0.04    -0.03   0.05  -0.02     0.04  -0.02  -0.05
    12   6     0.06  -0.02  -0.03    -0.12  -0.14  -0.06     0.14   0.05  -0.02
    13   6    -0.00  -0.00  -0.02    -0.02   0.02  -0.00     0.01  -0.02  -0.04
    14   1    -0.02   0.01  -0.02    -0.06   0.05   0.03     0.04  -0.03  -0.07
    15   1     0.13   0.00  -0.05    -0.03  -0.13  -0.12     0.17   0.06  -0.02
    16   1     0.07  -0.09   0.02    -0.12  -0.33  -0.18     0.15   0.09   0.10
    17   1     0.03  -0.01  -0.03    -0.31  -0.16   0.08     0.24   0.06  -0.10
    18   8     0.00   0.01   0.01     0.01   0.01   0.08    -0.00   0.01  -0.02
    19   8    -0.03  -0.04  -0.03    -0.06  -0.07  -0.00    -0.04  -0.04  -0.07
    20   1    -0.03  -0.04  -0.06    -0.08  -0.04  -0.08    -0.03  -0.06  -0.11
    21   6    -0.02  -0.03   0.01    -0.02  -0.07  -0.02    -0.01  -0.02  -0.11
    22   6    -0.02  -0.04  -0.04     0.02  -0.07   0.02    -0.03  -0.00  -0.07
    23   6    -0.01  -0.05  -0.08     0.04  -0.06  -0.00    -0.04  -0.03  -0.14
    24   8    -0.02   0.01   0.02     0.01  -0.02   0.04    -0.03   0.05   0.13
    25   6     0.03   0.05  -0.02     0.15   0.09  -0.03    -0.06   0.00   0.02
    26   1    -0.03   0.01   0.11    -0.08  -0.00  -0.04     0.00  -0.02  -0.00
    27   1    -0.02  -0.03   0.00    -0.04  -0.09  -0.01    -0.01  -0.02  -0.15
    28   1    -0.01  -0.06  -0.12     0.07  -0.08   0.01    -0.05  -0.03  -0.17
    29   1     0.38   0.28  -0.36     0.03  -0.05   0.15    -0.39  -0.12   0.25
    30   1    -0.28  -0.31  -0.18     0.45   0.25   0.06     0.25   0.22   0.12
    31   1     0.04   0.23   0.49     0.07   0.14  -0.36    -0.08  -0.14  -0.42
                     13                     14                     15
                      A                      A                      A
 Frequencies --    309.4119               379.9418               405.6269
 Red. masses --      4.0225                 5.2758                 4.7443
 Frc consts  --      0.2269                 0.4487                 0.4599
 IR Inten    --      7.8900                 1.8029                 2.6533
 RamAct Fr= 1--     12.2771                 4.3185                 0.8405
  Dep-P Fr= 1--      0.1503                 0.5269                 0.6964
  Dep-U Fr= 1--      0.2614                 0.6902                 0.8210
 Alpha2 Fr= 1--      0.1896                 0.0187                 0.0008
 Beta2  Fr= 1--      0.5348                 0.4967                 0.1150
 AlphaG Fr= 1--      0.0177                -0.1033                 0.0164
 Gamma2 Fr= 1--      0.4333                -4.2438                -0.7171
 Delta2 Fr= 1--      0.4009                 0.0432                -0.4807
 Raman1 Fr= 1--      49.108                 17.274                  3.362
 ROA1   Fr= 1--      54.427               -406.023                -84.225
 CID1   Fr= 1--       1.108                -23.505                -25.052
 Raman2 Fr= 1--       6.418                  5.961                  1.380
 ROA2   Fr= 1--       7.192               -102.197                -13.365
 CID2   Fr= 1--       1.121                -17.145                 -9.684
 Raman3 Fr= 1--      12.836                 11.922                  2.760
 ROA3   Fr= 1--      54.427               -406.023                -84.225
 CID3   Fr= 1--       4.240                -34.057                -30.513
 RC180  Fr= 1--      -0.477                  0.380                  0.642
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.09  -0.00    -0.07  -0.07   0.10    -0.04  -0.12  -0.03
     2   6     0.03   0.07  -0.01    -0.02  -0.09   0.10     0.01  -0.15  -0.05
     3   6    -0.01   0.07  -0.00    -0.13  -0.02  -0.06    -0.08   0.10   0.10
     4   6    -0.07   0.02  -0.02    -0.12   0.01  -0.16    -0.03   0.18   0.11
     5   6    -0.05   0.03  -0.00    -0.02  -0.02  -0.10     0.09   0.14   0.08
     6   6    -0.03   0.05   0.01     0.01  -0.07   0.15     0.11  -0.10  -0.10
     7   6    -0.04   0.05  -0.00     0.07   0.01   0.07     0.05  -0.08  -0.08
     8   1     0.03   0.06   0.01    -0.19  -0.00  -0.07    -0.21   0.16   0.13
     9   1    -0.03   0.04  -0.01     0.05   0.03  -0.16     0.22   0.24   0.11
    10   1    -0.07   0.07   0.02     0.06  -0.07   0.26     0.24  -0.17  -0.18
    11   6    -0.09  -0.08   0.05    -0.16   0.15  -0.06    -0.08   0.06   0.01
    12   6     0.06   0.12   0.12     0.00  -0.05  -0.05     0.04   0.03   0.06
    13   6    -0.09  -0.10   0.01    -0.11   0.09   0.02    -0.06  -0.04  -0.04
    14   1    -0.14  -0.12   0.01    -0.15   0.18   0.02    -0.15   0.03   0.03
    15   1    -0.06   0.07   0.16     0.13  -0.08  -0.25     0.08   0.00  -0.02
    16   1     0.06   0.37   0.30     0.02  -0.18   0.05     0.05   0.07   0.21
    17   1     0.33   0.11  -0.03    -0.02  -0.11   0.06     0.16  -0.00   0.03
    18   8    -0.12  -0.16  -0.17     0.00  -0.07   0.03    -0.05  -0.10  -0.10
    19   8     0.00   0.05   0.03     0.09   0.05   0.14    -0.07  -0.08  -0.04
    20   1     0.01   0.05   0.16    -0.00   0.21   0.20    -0.09  -0.05  -0.10
    21   6    -0.03  -0.04  -0.01     0.07   0.08  -0.09     0.07   0.06   0.05
    22   6     0.04  -0.07  -0.00     0.10   0.07  -0.13     0.07   0.08   0.09
    23   6     0.06  -0.03  -0.02    -0.01  -0.02  -0.11    -0.00  -0.01   0.09
    24   8     0.06  -0.09   0.04     0.15   0.05   0.05     0.06   0.09  -0.09
    25   6     0.21   0.02  -0.01     0.05  -0.08   0.03    -0.08  -0.02  -0.00
    26   1    -0.10   0.08  -0.00     0.22  -0.04   0.12     0.16  -0.14  -0.15
    27   1    -0.07  -0.08  -0.00     0.07   0.09  -0.10     0.08   0.07   0.05
    28   1     0.12  -0.06  -0.03    -0.16   0.04  -0.14    -0.12   0.04   0.09
    29   1     0.28  -0.01  -0.00    -0.09  -0.07   0.05    -0.14   0.00  -0.01
    30   1     0.34   0.01  -0.01     0.05  -0.05   0.04    -0.25  -0.01  -0.01
    31   1     0.14   0.16  -0.09     0.10  -0.20  -0.04    -0.00  -0.17   0.11
                     16                     17                     18
                      A                      A                      A
 Frequencies --    413.9166               417.0567               483.6631
 Red. masses --      5.0462                 3.2451                 3.9238
 Frc consts  --      0.5094                 0.3326                 0.5408
 IR Inten    --      5.1257                 0.3325                 3.9036
 RamAct Fr= 1--      1.0273                 2.7627                 2.3405
  Dep-P Fr= 1--      0.5939                 0.7473                 0.5712
  Dep-U Fr= 1--      0.7452                 0.8554                 0.7271
 Alpha2 Fr= 1--      0.0030                 0.0001                 0.0079
 Beta2  Fr= 1--      0.1276                 0.3939                 0.2836
 AlphaG Fr= 1--      0.0056                -0.0032                 0.0167
 Gamma2 Fr= 1--     -0.0028                 0.4010                -0.6983
 Delta2 Fr= 1--     -0.7509                -0.3163                -0.2703
 Raman1 Fr= 1--       4.109                 11.051                  9.362
 ROA1   Fr= 1--     -24.299                 28.370                -75.685
 CID1   Fr= 1--      -5.914                  2.567                 -8.084
 Raman2 Fr= 1--       1.531                  4.726                  3.403
 ROA2   Fr= 1--       5.940                 12.154                -14.596
 CID2   Fr= 1--       3.880                  2.572                 -4.289
 Raman3 Fr= 1--       3.062                  9.453                  6.807
 ROA3   Fr= 1--     -24.299                 28.370                -75.685
 CID3   Fr= 1--      -7.936                  3.001                -11.119
 RC180  Fr= 1--       0.490                  0.711                  0.454
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.00  -0.03    -0.00   0.01   0.08    -0.06  -0.07  -0.03
     2   6    -0.09  -0.00  -0.05    -0.01  -0.02  -0.04    -0.06  -0.05   0.07
     3   6    -0.09  -0.06   0.11    -0.02  -0.03  -0.15    -0.07   0.03  -0.08
     4   6    -0.08  -0.05   0.12    -0.00   0.01   0.03    -0.01   0.08  -0.02
     5   6    -0.15  -0.07   0.12     0.01   0.04   0.15    -0.04   0.07  -0.14
     6   6    -0.17  -0.05  -0.06    -0.01  -0.05  -0.18    -0.01   0.01   0.10
     7   6    -0.03   0.05  -0.08     0.02   0.05   0.22     0.01  -0.01   0.06
     8   1    -0.05  -0.07   0.12    -0.04  -0.09  -0.38    -0.18   0.09  -0.03
     9   1    -0.19  -0.10   0.18     0.02   0.08   0.29    -0.01   0.07  -0.26
    10   1    -0.25  -0.03  -0.13    -0.01  -0.09  -0.35     0.09  -0.02   0.17
    11   6    -0.04   0.07  -0.05    -0.00   0.00   0.00     0.06  -0.10   0.13
    12   6     0.10   0.02  -0.04     0.00   0.01   0.01    -0.08   0.02   0.18
    13   6     0.05   0.09  -0.08     0.00  -0.00  -0.01     0.15  -0.05  -0.01
    14   1     0.03   0.11  -0.02    -0.01   0.00   0.00    -0.08  -0.17   0.14
    15   1     0.24   0.04  -0.12     0.02   0.01   0.01    -0.21   0.05   0.39
    16   1     0.12  -0.05   0.15     0.01   0.01   0.03    -0.09   0.14   0.05
    17   1     0.15   0.03  -0.08     0.01   0.01   0.00    -0.09   0.09   0.09
    18   8     0.11   0.10   0.07     0.00   0.00  -0.01     0.06   0.10  -0.01
    19   8     0.02  -0.08  -0.09    -0.00  -0.02  -0.01    -0.06  -0.05  -0.15
    20   1    -0.02  -0.04  -0.24    -0.02   0.01  -0.04     0.16  -0.39  -0.17
    21   6    -0.02   0.11   0.02    -0.01  -0.04  -0.18     0.00   0.05  -0.03
    22   6     0.05   0.07   0.06     0.00  -0.02  -0.08     0.02   0.02  -0.10
    23   6    -0.03   0.06   0.05     0.01   0.03   0.11    -0.05  -0.01  -0.02
    24   8     0.12  -0.12  -0.03     0.01   0.01   0.04     0.06   0.00   0.03
    25   6     0.22  -0.09   0.00     0.00  -0.00   0.01     0.05  -0.04   0.01
    26   1     0.03   0.01  -0.13     0.04   0.10   0.43     0.09  -0.01   0.19
    27   1    -0.03   0.10   0.02    -0.02  -0.07  -0.31     0.02   0.08   0.06
    28   1    -0.11   0.09   0.05     0.01   0.08   0.32    -0.14   0.05   0.05
    29   1     0.32  -0.09  -0.02    -0.06  -0.02   0.04     0.02  -0.03   0.01
    30   1     0.24  -0.10  -0.00     0.06   0.03   0.02     0.06  -0.04   0.01
    31   1     0.17   0.03   0.02     0.00  -0.03  -0.08     0.06  -0.05  -0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    484.0774               518.1040               534.9537
 Red. masses --      2.5924                 2.8962                 5.9310
 Frc consts  --      0.3579                 0.4581                 1.0000
 IR Inten    --     15.9038                35.9439                 4.1766
 RamAct Fr= 1--      0.2042                 2.3092                20.5745
  Dep-P Fr= 1--      0.7498                 0.6414                 0.3260
  Dep-U Fr= 1--      0.8570                 0.7815                 0.4917
 Alpha2 Fr= 1--      0.0000                 0.0045                 0.1949
 Beta2  Fr= 1--      0.0292                 0.3008                 1.6861
 AlphaG Fr= 1--      0.0000                -0.0834                -0.0934
 Gamma2 Fr= 1--     -0.5555                 0.9629                 0.3142
 Delta2 Fr= 1--      0.1001                 0.4356                -0.0428
 Raman1 Fr= 1--       0.817                  9.237                 82.298
 ROA1   Fr= 1--     -50.125                106.373                 28.792
 CID1   Fr= 1--     -61.353                 11.516                  0.350
 Raman2 Fr= 1--       0.350                  3.609                 20.233
 ROA2   Fr= 1--     -14.133                 19.624                  7.883
 CID2   Fr= 1--     -40.372                  5.437                  0.390
 Raman3 Fr= 1--       0.700                  7.219                 40.466
 ROA3   Fr= 1--     -50.125                106.373                 28.792
 CID3   Fr= 1--     -71.592                 14.735                  0.711
 RC180  Fr= 1--       0.714                  0.563                 -0.017
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04   0.20    -0.01  -0.04   0.04     0.12  -0.00  -0.01
     2   6     0.01   0.04   0.19    -0.07  -0.04  -0.02    -0.09   0.07  -0.01
     3   6    -0.02  -0.02  -0.12    -0.01   0.04   0.02     0.07   0.10  -0.02
     4   6     0.00   0.02   0.03     0.02   0.05  -0.04    -0.06   0.05  -0.01
     5   6     0.00   0.02   0.04    -0.05   0.11   0.04    -0.25   0.12  -0.01
     6   6    -0.00  -0.02  -0.09    -0.04   0.00  -0.04    -0.23   0.10  -0.01
     7   6    -0.01  -0.02  -0.10     0.03  -0.04  -0.01     0.21  -0.05  -0.00
     8   1    -0.05  -0.10  -0.45    -0.10   0.08   0.05     0.04   0.10  -0.03
     9   1     0.00  -0.00  -0.07    -0.04   0.12   0.10    -0.31   0.07   0.01
    10   1    -0.01  -0.10  -0.40     0.03  -0.03  -0.05    -0.26   0.11  -0.00
    11   6     0.01  -0.01   0.02     0.06  -0.12  -0.07    -0.06   0.03  -0.00
    12   6    -0.01   0.00   0.03     0.03  -0.02  -0.14    -0.00   0.01   0.02
    13   6     0.02  -0.00  -0.00     0.05  -0.13   0.08    -0.01   0.05  -0.04
    14   1    -0.01  -0.02   0.02    -0.05  -0.24  -0.21    -0.06   0.05   0.04
    15   1    -0.01   0.01   0.05    -0.04  -0.03  -0.08     0.05   0.02  -0.01
    16   1    -0.01   0.02   0.02     0.02   0.01  -0.21     0.01   0.00   0.10
    17   1    -0.01   0.01   0.01     0.02  -0.02  -0.15     0.04   0.02  -0.01
    18   8     0.01   0.01  -0.01    -0.07   0.03   0.07     0.03   0.02   0.02
    19   8    -0.01  -0.02  -0.02     0.00   0.16   0.03     0.02  -0.03  -0.02
    20   1    -0.03   0.02  -0.06     0.40  -0.40   0.50    -0.09   0.12  -0.13
    21   6     0.00   0.02   0.05     0.02   0.02  -0.00     0.26  -0.23   0.04
    22   6     0.01   0.02   0.07     0.01   0.04   0.04     0.07  -0.14   0.03
    23   6    -0.01  -0.03  -0.12    -0.06  -0.00   0.02    -0.04  -0.17   0.04
    24   8     0.01  -0.00  -0.01     0.02  -0.03  -0.01     0.04   0.08  -0.02
    25   6     0.00  -0.00   0.00     0.04  -0.03   0.00    -0.08  -0.00   0.01
    26   1    -0.02  -0.11  -0.44     0.07  -0.07  -0.07     0.13  -0.02  -0.01
    27   1    -0.01  -0.02  -0.11     0.05   0.03  -0.08     0.21  -0.26   0.05
    28   1    -0.04  -0.11  -0.47    -0.12   0.02  -0.02     0.12  -0.24   0.05
    29   1     0.01  -0.01   0.01     0.06  -0.04   0.00    -0.18   0.01   0.01
    30   1    -0.00   0.00   0.00     0.05  -0.03   0.00    -0.18   0.01   0.01
    31   1     0.01  -0.01   0.00     0.03  -0.01   0.00    -0.00  -0.16   0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    562.1624               583.2299               600.4842
 Red. masses --      1.8005                 2.5737                 2.7697
 Frc consts  --      0.3353                 0.5158                 0.5884
 IR Inten    --     22.6008                39.0534                 2.6734
 RamAct Fr= 1--      8.6030                 5.5683                 4.9022
  Dep-P Fr= 1--      0.3871                 0.2075                 0.4906
  Dep-U Fr= 1--      0.5581                 0.3437                 0.6583
 Alpha2 Fr= 1--      0.0667                 0.0741                 0.0253
 Beta2  Fr= 1--      0.8003                 0.3189                 0.5378
 AlphaG Fr= 1--     -0.3559                 0.2938                 0.0900
 Gamma2 Fr= 1--      4.6332                -0.1005                -0.1089
 Delta2 Fr= 1--      2.9130                -1.5549                 0.1569
 Raman1 Fr= 1--      34.412                 22.273                 19.609
 ROA1   Fr= 1--     538.005                -59.405                 -5.435
 CID1   Fr= 1--      15.634                 -2.667                 -0.277
 Raman2 Fr= 1--       9.603                  3.827                  6.454
 ROA2   Fr= 1--      87.893                 10.027                 -3.870
 CID2   Fr= 1--       9.152                  2.620                 -0.600
 Raman3 Fr= 1--      19.206                  7.655                 12.908
 ROA3   Fr= 1--     538.005                -59.405                 -5.435
 CID3   Fr= 1--      28.012                 -7.761                 -0.421
 RC180  Fr= 1--       0.116                 -0.313                  0.317
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.06   0.01    -0.09   0.05   0.01     0.03   0.02   0.09
     2   6    -0.05  -0.02  -0.00     0.00  -0.02  -0.03     0.01  -0.04  -0.15
     3   6     0.04   0.02   0.00    -0.07  -0.01   0.02     0.01   0.02  -0.00
     4   6     0.06   0.03  -0.02    -0.03  -0.02  -0.04    -0.03  -0.04  -0.19
     5   6    -0.02   0.07  -0.02     0.01  -0.02   0.01     0.00  -0.00   0.01
     6   6    -0.02   0.02  -0.00     0.02  -0.00  -0.00     0.00  -0.02   0.00
     7   6     0.05  -0.06   0.01    -0.09   0.08  -0.01     0.01  -0.01   0.06
     8   1    -0.04   0.04  -0.01    -0.06  -0.01   0.04     0.03   0.06   0.20
     9   1    -0.03   0.07   0.01     0.03   0.01   0.09     0.04   0.10   0.37
    10   1     0.06  -0.00   0.03     0.01   0.02   0.07     0.03   0.07   0.36
    11   6     0.07  -0.03   0.01     0.03  -0.13  -0.01    -0.02   0.00   0.04
    12   6     0.00  -0.00  -0.02     0.00  -0.01  -0.02    -0.04  -0.00   0.09
    13   6    -0.00  -0.02   0.02     0.06  -0.08   0.02    -0.00   0.04  -0.02
    14   1     0.05  -0.04   0.01    -0.06  -0.18  -0.06    -0.03   0.03   0.11
    15   1    -0.06  -0.00   0.04    -0.05   0.02   0.10    -0.08   0.01   0.15
    16   1    -0.01   0.02  -0.11    -0.00   0.06  -0.05    -0.05   0.02   0.04
    17   1    -0.04   0.01  -0.01     0.02   0.04  -0.11    -0.07   0.02   0.08
    18   8    -0.03   0.00  -0.03    -0.03   0.08   0.04     0.04   0.01   0.00
    19   8     0.02  -0.03   0.05     0.06   0.02   0.01     0.00  -0.02  -0.03
    20   1    -0.47   0.68  -0.31    -0.37   0.64  -0.25     0.07  -0.11  -0.02
    21   6     0.02   0.04  -0.01    -0.05  -0.02   0.00    -0.00  -0.01  -0.06
    22   6    -0.05   0.05  -0.01     0.09  -0.04   0.04    -0.00   0.07   0.23
    23   6    -0.06   0.06  -0.01     0.03  -0.10   0.02     0.01   0.02  -0.03
    24   8    -0.04  -0.08   0.02     0.11   0.12  -0.04    -0.03  -0.03  -0.04
    25   6     0.05  -0.03   0.00    -0.02   0.01  -0.00    -0.00   0.00  -0.01
    26   1     0.09  -0.08   0.02    -0.12   0.08  -0.05     0.00  -0.08  -0.23
    27   1     0.11   0.11  -0.04    -0.19  -0.14  -0.03    -0.00  -0.10  -0.54
    28   1    -0.12   0.08  -0.00     0.03  -0.11  -0.00    -0.00  -0.04  -0.27
    29   1     0.13  -0.04  -0.00    -0.15   0.03   0.01     0.04  -0.02   0.01
    30   1     0.13  -0.04   0.00    -0.15   0.04  -0.00     0.01   0.02   0.00
    31   1    -0.01   0.10  -0.02     0.06  -0.18   0.04    -0.02   0.04  -0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    630.3657               690.0618               697.3935
 Red. masses --      5.1648                 3.8696                 4.9659
 Frc consts  --      1.2092                 1.0856                 1.4230
 IR Inten    --      0.7329                 9.4380                 2.4551
 RamAct Fr= 1--      1.0615                 3.6835                 1.1353
  Dep-P Fr= 1--      0.6178                 0.1473                 0.0916
  Dep-U Fr= 1--      0.7637                 0.2568                 0.1679
 Alpha2 Fr= 1--      0.0026                 0.0573                 0.0203
 Beta2  Fr= 1--      0.1351                 0.1576                 0.0318
 AlphaG Fr= 1--      0.0393                -0.3504                 0.0237
 Gamma2 Fr= 1--      0.9613                -0.3854                -1.1564
 Delta2 Fr= 1--      0.1240                 0.7122                -0.3474
 Raman1 Fr= 1--       4.246                 14.734                  4.541
 ROA1   Fr= 1--      96.254                -14.205               -122.131
 CID1   Fr= 1--      22.668                 -0.964                -26.893
 Raman2 Fr= 1--       1.621                  1.892                  0.381
 ROA2   Fr= 1--      22.079                -14.946                -24.975
 CID2   Fr= 1--      13.617                 -7.902                -65.526
 Raman3 Fr= 1--       3.243                  3.783                  0.762
 ROA3   Fr= 1--      96.254                -14.205               -122.131
 CID3   Fr= 1--      29.681                 -3.755               -160.216
 RC180  Fr= 1--       0.527                 -0.486                 -0.664
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.01   0.02     0.02  -0.03  -0.11    -0.05  -0.00  -0.07
     2   6    -0.17   0.03  -0.02     0.03  -0.02  -0.03    -0.05   0.02  -0.02
     3   6    -0.06  -0.18   0.03     0.03   0.04  -0.08    -0.09  -0.11  -0.00
     4   6     0.16  -0.05  -0.01     0.01   0.07   0.24    -0.01   0.01   0.16
     5   6     0.07   0.04  -0.03    -0.08  -0.03  -0.08     0.14  -0.01  -0.05
     6   6     0.02   0.23  -0.05    -0.05  -0.06   0.13     0.13   0.16   0.02
     7   6    -0.00   0.12  -0.01    -0.04  -0.02   0.14     0.15   0.16   0.03
     8   1    -0.11  -0.15   0.07     0.02  -0.00  -0.25    -0.09  -0.15  -0.13
     9   1    -0.11  -0.08   0.06    -0.07  -0.10  -0.45     0.10  -0.09  -0.31
    10   1     0.08   0.22   0.03    -0.08  -0.07   0.05     0.15   0.13  -0.07
    11   6     0.17   0.11   0.05     0.04   0.05  -0.00    -0.13  -0.05  -0.04
    12   6     0.02   0.01  -0.02     0.04   0.01  -0.09    -0.03  -0.01   0.03
    13   6    -0.02   0.07   0.06     0.06  -0.03   0.07    -0.06  -0.07  -0.10
    14   1     0.28   0.17   0.08     0.05   0.01  -0.11    -0.14  -0.06  -0.05
    15   1    -0.09  -0.06  -0.05     0.08  -0.02  -0.21     0.10   0.05   0.02
    16   1     0.00  -0.05  -0.30     0.05  -0.04  -0.06    -0.00   0.01   0.32
    17   1    -0.16  -0.07   0.20     0.05  -0.05  -0.01     0.13   0.04  -0.12
    18   8     0.02  -0.10  -0.15    -0.00  -0.01  -0.06    -0.06   0.02   0.14
    19   8    -0.11  -0.03   0.09    -0.06   0.00   0.05     0.11   0.03  -0.11
    20   1     0.06  -0.30   0.03    -0.06  -0.02  -0.06     0.03   0.19   0.14
    21   6     0.02  -0.00  -0.02    -0.06  -0.04  -0.10     0.14   0.01  -0.08
    22   6     0.04  -0.02   0.06     0.02   0.06   0.21    -0.02   0.01   0.12
    23   6    -0.15  -0.14   0.03     0.04   0.02  -0.07    -0.09  -0.07  -0.02
    24   8     0.08   0.04  -0.02     0.03   0.02  -0.04    -0.10  -0.10   0.01
    25   6     0.05  -0.04   0.01     0.00   0.00  -0.01    -0.02  -0.00  -0.00
    26   1    -0.00   0.11  -0.06    -0.07  -0.02   0.14     0.21   0.14   0.05
    27   1    -0.09  -0.11  -0.11    -0.08  -0.12  -0.44     0.13  -0.02  -0.24
    28   1    -0.20  -0.14  -0.04     0.04  -0.05  -0.34    -0.09  -0.11  -0.16
    29   1    -0.01  -0.03   0.01    -0.02  -0.00   0.01     0.09  -0.03  -0.00
    30   1    -0.02  -0.02   0.01    -0.05   0.03  -0.00     0.08  -0.01   0.00
    31   1     0.08  -0.12   0.02     0.02  -0.05   0.00    -0.09   0.15  -0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --    737.6486               777.4397               783.6471
 Red. masses --      5.6038                 3.3565                 3.1645
 Frc consts  --      1.7965                 1.1953                 1.1450
 IR Inten    --      6.3277                 1.8537                 1.4997
 RamAct Fr= 1--     19.7056                38.7218                33.1272
  Dep-P Fr= 1--      0.0665                 0.0853                 0.0937
  Dep-U Fr= 1--      0.1246                 0.1572                 0.1714
 Alpha2 Fr= 1--      0.3742                 0.7027                 0.5889
 Beta2  Fr= 1--      0.4094                 1.0146                 0.9464
 AlphaG Fr= 1--     -0.1221                 0.2085                -0.3096
 Gamma2 Fr= 1--     -2.4980                 2.1476                -0.4578
 Delta2 Fr= 1--     -0.0076                 0.0697                 0.6507
 Raman1 Fr= 1--      78.823                154.887                132.509
 ROA1   Fr= 1--    -240.047                208.397                -23.128
 CID1   Fr= 1--      -3.045                  1.345                 -0.175
 Raman2 Fr= 1--       4.912                 12.175                 11.357
 ROA2   Fr= 1--     -59.891                 50.983                -16.193
 CID2   Fr= 1--     -12.192                  4.188                 -1.426
 Raman3 Fr= 1--       9.825                 24.350                 22.714
 ROA3   Fr= 1--    -240.047                208.397                -23.128
 CID3   Fr= 1--     -24.433                  8.558                 -1.018
 RC180  Fr= 1--      -0.751                 -0.686                 -0.657
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.08   0.03    -0.01   0.03  -0.17    -0.02  -0.09  -0.14
     2   6     0.04  -0.03  -0.01    -0.01  -0.04   0.18     0.03   0.11   0.16
     3   6    -0.10   0.02  -0.00     0.05   0.10   0.01    -0.06  -0.07   0.06
     4   6    -0.11   0.01  -0.04     0.01   0.00  -0.08    -0.03  -0.04  -0.11
     5   6     0.02  -0.09   0.01    -0.02   0.02   0.08     0.03   0.01   0.07
     6   6     0.01  -0.13   0.01    -0.03  -0.17   0.01     0.02   0.12  -0.09
     7   6     0.15   0.22  -0.08     0.02   0.17  -0.02    -0.01  -0.13   0.04
     8   1    -0.05   0.01   0.04     0.09   0.15   0.25    -0.07   0.01   0.35
     9   1     0.13   0.02   0.13     0.06   0.06  -0.05    -0.04  -0.04   0.11
    10   1    -0.04  -0.08   0.13     0.03  -0.26  -0.24    -0.06   0.12  -0.24
    11   6    -0.05   0.07  -0.00     0.09  -0.06   0.02    -0.07   0.03  -0.02
    12   6     0.00   0.01  -0.05     0.03  -0.01  -0.01    -0.03   0.00   0.02
    13   6     0.26  -0.09   0.20    -0.09   0.09  -0.06     0.09  -0.05   0.06
    14   1    -0.23  -0.13  -0.26     0.14   0.04   0.20    -0.16  -0.06  -0.13
    15   1     0.08  -0.06  -0.27    -0.12   0.03   0.21     0.05  -0.02  -0.10
    16   1     0.02  -0.08   0.01     0.00   0.08  -0.21    -0.01  -0.05   0.14
    17   1     0.03  -0.10   0.10    -0.06   0.08  -0.09     0.02  -0.05   0.07
    18   8     0.05   0.08  -0.15     0.02  -0.03   0.01     0.01   0.04  -0.03
    19   8    -0.13   0.01   0.10     0.01  -0.01   0.02    -0.02   0.01   0.01
    20   1    -0.13  -0.05  -0.31     0.02  -0.02   0.06    -0.04   0.02  -0.10
    21   6     0.15   0.03   0.01     0.01   0.03  -0.10    -0.00  -0.06  -0.09
    22   6    -0.00  -0.05  -0.03     0.02   0.00   0.08    -0.00   0.03   0.07
    23   6     0.02  -0.05   0.02    -0.05  -0.09   0.01     0.05   0.07  -0.03
    24   8    -0.13  -0.11   0.04    -0.04  -0.03   0.00     0.02   0.02  -0.01
    25   6    -0.06   0.04  -0.00    -0.01   0.01  -0.00     0.00  -0.00  -0.00
    26   1     0.19   0.19  -0.13     0.02   0.26   0.29     0.04  -0.05   0.42
    27   1     0.10   0.00   0.03    -0.07   0.02   0.16     0.09   0.07   0.22
    28   1     0.06  -0.06   0.08    -0.15  -0.15  -0.36     0.10  -0.07  -0.48
    29   1     0.06   0.01  -0.01     0.03  -0.00  -0.00    -0.01   0.00   0.00
    30   1     0.06   0.01  -0.00     0.02   0.00  -0.00    -0.02   0.00  -0.00
    31   1    -0.15   0.21  -0.04    -0.04   0.06  -0.00     0.02  -0.03   0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --    820.2940               825.7872               837.0407
 Red. masses --      1.4563                 1.8502                 2.5557
 Frc consts  --      0.5773                 0.7434                 1.0550
 IR Inten    --     27.7997                 3.1969                 7.3304
 RamAct Fr= 1--      0.8696                 1.8121                 4.2327
  Dep-P Fr= 1--      0.3017                 0.3337                 0.3762
  Dep-U Fr= 1--      0.4636                 0.5004                 0.5468
 Alpha2 Fr= 1--      0.0089                 0.0168                 0.0341
 Beta2  Fr= 1--      0.0672                 0.1511                 0.3857
 AlphaG Fr= 1--     -0.0145                -0.0164                -0.0636
 Gamma2 Fr= 1--      0.2320                 0.7939                -0.5427
 Delta2 Fr= 1--      0.0274                 0.2546                 0.5910
 Raman1 Fr= 1--       3.478                  7.248                 16.931
 ROA1   Fr= 1--      23.151                 84.361                -33.185
 CID1   Fr= 1--       6.656                 11.638                 -1.960
 Raman2 Fr= 1--       0.806                  1.814                  4.628
 ROA2   Fr= 1--       5.349                 17.017                -17.753
 CID2   Fr= 1--       6.635                  9.383                 -3.836
 Raman3 Fr= 1--       1.612                  3.627                  9.257
 ROA3   Fr= 1--      23.151                 84.361                -33.185
 CID3   Fr= 1--      14.358                 23.257                 -3.585
 RC180  Fr= 1--      -0.073                  0.001                  0.094
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.09     0.02  -0.00  -0.08     0.06   0.04   0.00
     2   6    -0.01  -0.01  -0.02    -0.01   0.01   0.10    -0.06  -0.04  -0.02
     3   6     0.02   0.01   0.00     0.05   0.01  -0.03     0.13   0.04  -0.01
     4   6     0.01   0.01   0.04     0.02   0.01   0.06     0.03  -0.03  -0.09
     5   6    -0.00  -0.02  -0.07    -0.00  -0.02  -0.06     0.03  -0.02   0.07
     6   6    -0.01  -0.02  -0.03    -0.01  -0.05  -0.09     0.00  -0.03   0.07
     7   6    -0.01  -0.01  -0.09    -0.01   0.03   0.06    -0.03   0.02  -0.02
     8   1     0.02  -0.07  -0.29     0.09   0.06   0.21     0.24   0.01   0.02
     9   1     0.02   0.07   0.28     0.03   0.11   0.48     0.01  -0.11  -0.30
    10   1     0.03   0.07   0.38     0.04   0.08   0.49     0.02  -0.16  -0.40
    11   6     0.00   0.02   0.00     0.00   0.07   0.01    -0.03   0.13  -0.02
    12   6    -0.00   0.01   0.00    -0.00   0.02   0.01    -0.04   0.04   0.08
    13   6    -0.00  -0.02  -0.00     0.00  -0.07   0.00     0.05  -0.12   0.04
    14   1     0.02   0.01  -0.03     0.04   0.04  -0.09    -0.02   0.05  -0.22
    15   1     0.02  -0.01  -0.05     0.05  -0.03  -0.16     0.08  -0.08  -0.27
    16   1     0.00  -0.02   0.02     0.01  -0.07   0.04    -0.02  -0.16   0.14
    17   1    -0.00  -0.02   0.05    -0.01  -0.07   0.15    -0.06  -0.15   0.37
    18   8    -0.01  -0.00   0.01    -0.04  -0.01   0.02    -0.06   0.01   0.02
    19   8     0.01   0.00  -0.02     0.03   0.01  -0.05     0.03   0.01  -0.07
    20   1     0.01   0.00   0.02    -0.00   0.06   0.03    -0.01   0.09  -0.01
    21   6    -0.01  -0.02  -0.09    -0.01   0.01   0.05    -0.04  -0.00  -0.01
    22   6     0.00   0.01   0.06    -0.01  -0.02  -0.08    -0.02   0.03   0.04
    23   6    -0.02  -0.00   0.03    -0.04  -0.01   0.05    -0.12  -0.05  -0.02
    24   8     0.00   0.00  -0.01     0.01   0.01   0.02     0.03   0.03  -0.02
    25   6     0.01  -0.00  -0.00     0.01  -0.01   0.00     0.04  -0.04   0.00
    26   1     0.01   0.13   0.46    -0.06  -0.04  -0.28    -0.11   0.07   0.06
    27   1     0.02   0.14   0.58    -0.05  -0.08  -0.30    -0.05  -0.00   0.06
    28   1    -0.05  -0.05  -0.20    -0.10  -0.08  -0.33    -0.21   0.06   0.27
    29   1     0.01  -0.00  -0.01    -0.00  -0.01   0.01     0.02  -0.03   0.00
    30   1    -0.00  -0.01  -0.00     0.01  -0.01   0.01     0.01  -0.03   0.00
    31   1     0.01  -0.00   0.03     0.02  -0.02  -0.01     0.06  -0.06   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --    856.7248               896.5177               922.8416
 Red. masses --      3.2179                 1.6913                 1.4952
 Frc consts  --      1.3916                 0.8009                 0.7503
 IR Inten    --      3.4848                34.0012                 7.9393
 RamAct Fr= 1--     24.2756                 2.4544                 1.0913
  Dep-P Fr= 1--      0.0998                 0.7228                 0.4800
  Dep-U Fr= 1--      0.1815                 0.8391                 0.6487
 Alpha2 Fr= 1--      0.4252                 0.0011                 0.0059
 Beta2  Fr= 1--      0.7342                 0.3432                 0.1180
 AlphaG Fr= 1--      0.4747                 0.0046                 0.0465
 Gamma2 Fr= 1--     -0.3178                -0.2406                -0.0258
 Delta2 Fr= 1--     -0.7076                -0.2027                -0.1119
 Raman1 Fr= 1--      97.103                  9.817                  4.365
 ROA1   Fr= 1--     -53.149                -29.588                 -6.055
 CID1   Fr= 1--      -0.547                 -3.014                 -1.387
 Raman2 Fr= 1--       8.811                  4.119                  1.416
 ROA2   Fr= 1--      -1.965                 -4.153                  0.277
 CID2   Fr= 1--      -0.223                 -1.008                  0.196
 Raman3 Fr= 1--      17.622                  8.238                  2.832
 ROA3   Fr= 1--     -53.149                -29.588                 -6.055
 CID3   Fr= 1--      -3.016                 -3.592                 -2.138
 RC180  Fr= 1--      -0.637                  0.678                  0.297
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.03   0.03    -0.00  -0.01  -0.03     0.01   0.02   0.07
     2   6     0.07   0.01  -0.02     0.01   0.03   0.11    -0.01  -0.00  -0.03
     3   6    -0.13  -0.06   0.02     0.00   0.00   0.00    -0.01  -0.02  -0.16
     4   6     0.01   0.03  -0.03    -0.00   0.00   0.02    -0.01   0.01   0.06
     5   6    -0.08   0.03   0.01    -0.00  -0.01  -0.05     0.01  -0.02   0.00
     6   6    -0.07  -0.03   0.03    -0.00  -0.01  -0.05     0.01   0.01   0.02
     7   6     0.02   0.02  -0.01     0.00   0.00   0.02     0.00  -0.00   0.01
     8   1    -0.27   0.01   0.08     0.00   0.01   0.04     0.04   0.22   0.83
     9   1    -0.11  -0.01  -0.05     0.02   0.09   0.36     0.02  -0.02  -0.01
    10   1    -0.16  -0.03  -0.12     0.01   0.03   0.13    -0.02  -0.02  -0.10
    11   6     0.16   0.14   0.06    -0.00  -0.01   0.01    -0.01  -0.00   0.02
    12   6     0.06   0.05   0.03     0.00  -0.00  -0.01     0.01  -0.00  -0.03
    13   6    -0.04  -0.11  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.01
    14   1     0.17   0.13   0.06     0.00  -0.00   0.00    -0.00   0.01   0.05
    15   1    -0.14  -0.10  -0.07     0.01   0.01  -0.00     0.00   0.01   0.00
    16   1     0.03  -0.06  -0.43     0.00   0.01   0.01     0.01   0.02  -0.01
    17   1    -0.24  -0.10   0.43     0.02   0.01  -0.03     0.03   0.02  -0.07
    18   8    -0.10  -0.05   0.05     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   8     0.07   0.00  -0.12    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1     0.01   0.12   0.10     0.00  -0.01   0.00    -0.02   0.03  -0.01
    21   6     0.03   0.00  -0.01    -0.00  -0.01  -0.03     0.00  -0.03  -0.05
    22   6     0.04  -0.02   0.02     0.01   0.02   0.09    -0.01   0.01   0.01
    23   6     0.15   0.04  -0.04    -0.01  -0.04  -0.18    -0.01   0.01   0.01
    24   8    -0.03  -0.05   0.01    -0.00  -0.00  -0.02     0.00   0.01  -0.01
    25   6    -0.06   0.05  -0.01     0.00  -0.00  -0.00     0.01  -0.01   0.00
    26   1     0.12  -0.01   0.03    -0.00  -0.00  -0.02    -0.03  -0.05  -0.21
    27   1     0.01   0.00   0.05     0.00   0.01   0.04     0.04   0.08   0.38
    28   1     0.30   0.01   0.08     0.05   0.21   0.86    -0.02   0.01  -0.00
    29   1    -0.02   0.04  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   1    -0.02   0.04  -0.01    -0.00   0.00  -0.00     0.01  -0.01   0.00
    31   1    -0.08   0.09  -0.01     0.00   0.00   0.00     0.01  -0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    936.7644               953.9645               967.4276
 Red. masses --      3.5890                 1.3449                 1.3279
 Frc consts  --      1.8556                 0.7211                 0.7323
 IR Inten    --     13.7091                 1.6100                 1.4722
 RamAct Fr= 1--      7.8043                 1.7180                 1.1945
  Dep-P Fr= 1--      0.3697                 0.6284                 0.7498
  Dep-U Fr= 1--      0.5399                 0.7718                 0.8570
 Alpha2 Fr= 1--      0.0642                 0.0038                 0.0000
 Beta2  Fr= 1--      0.7022                 0.2210                 0.1706
 AlphaG Fr= 1--      0.1505                 0.0141                 0.0026
 Gamma2 Fr= 1--      4.4567                -0.5674                 0.4747
 Delta2 Fr= 1--     -2.2245                 0.5817                -0.2581
 Raman1 Fr= 1--      31.217                  6.872                  4.778
 ROA1   Fr= 1--     356.662                -35.852                 37.315
 CID1   Fr= 1--      11.425                 -5.217                  7.810
 Raman2 Fr= 1--       8.427                  2.652                  2.047
 ROA2   Fr= 1--     124.757                -18.271                 13.459
 CID2   Fr= 1--      14.805                 -6.890                  6.573
 Raman3 Fr= 1--      16.853                  5.304                  4.095
 ROA3   Fr= 1--     356.662                -35.852                 37.315
 CID3   Fr= 1--      21.163                 -6.760                  9.112
 RC180  Fr= 1--       0.080                  0.544                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.06   0.02     0.00   0.01   0.04    -0.00  -0.00  -0.02
     2   6     0.04  -0.07   0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.02
     3   6     0.08  -0.13  -0.00    -0.00  -0.01  -0.06     0.00   0.01   0.03
     4   6     0.11  -0.03   0.01     0.00   0.00   0.02    -0.00   0.00   0.00
     5   6    -0.12   0.19  -0.04    -0.00  -0.00  -0.03    -0.01  -0.03  -0.11
     6   6    -0.04   0.02   0.00     0.00   0.01   0.02     0.01   0.03   0.11
     7   6    -0.03   0.04   0.00    -0.01  -0.03  -0.12     0.00   0.01   0.03
     8   1     0.12  -0.09   0.20     0.02   0.07   0.29    -0.01  -0.03  -0.13
     9   1    -0.21   0.13  -0.02     0.00   0.04   0.18     0.04   0.16   0.66
    10   1     0.16  -0.06  -0.02    -0.00  -0.03  -0.14    -0.04  -0.16  -0.65
    11   6    -0.05  -0.02  -0.07    -0.01  -0.00   0.01    -0.00  -0.00   0.01
    12   6    -0.09   0.00   0.05    -0.00  -0.00  -0.01     0.00  -0.00  -0.01
    13   6     0.01   0.02  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.07  -0.05  -0.27     0.00   0.00   0.01     0.00  -0.00  -0.00
    15   1     0.19   0.02  -0.18     0.01   0.01  -0.01     0.01   0.00  -0.00
    16   1    -0.04  -0.10   0.48     0.00   0.00   0.02     0.00   0.00   0.00
    17   1     0.14  -0.06   0.01     0.02   0.00  -0.03     0.01   0.00  -0.01
    18   8     0.02   0.01  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   8    -0.01   0.00   0.03     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    20   1    -0.01  -0.00  -0.01    -0.00   0.01  -0.00     0.00  -0.01   0.00
    21   6    -0.11   0.19  -0.06     0.00   0.03   0.09    -0.00  -0.00  -0.01
    22   6     0.10  -0.04   0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    23   6     0.11  -0.12   0.02     0.00  -0.01  -0.01     0.00   0.01   0.02
    24   8    -0.01  -0.07   0.02     0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.08   0.08  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1     0.15  -0.05  -0.10     0.05   0.16   0.70    -0.01  -0.04  -0.16
    27   1    -0.17   0.17   0.09    -0.04  -0.12  -0.53     0.01   0.02   0.08
    28   1     0.19  -0.16   0.03     0.01  -0.00   0.02    -0.01  -0.02  -0.10
    29   1    -0.04   0.06  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.04   0.06  -0.02    -0.00   0.01   0.00     0.00  -0.00   0.00
    31   1    -0.10   0.12  -0.02    -0.00   0.00  -0.02     0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    979.8591              1029.0931              1069.4625
 Red. masses --      3.5405                 2.1354                 3.6636
 Frc consts  --      2.0028                 1.3324                 2.4688
 IR Inten    --      1.7837                 4.7051                54.9361
 RamAct Fr= 1--     25.4178                 5.4648                 4.2675
  Dep-P Fr= 1--      0.1468                 0.4131                 0.1067
  Dep-U Fr= 1--      0.2561                 0.5847                 0.1928
 Alpha2 Fr= 1--      0.3961                 0.0386                 0.0735
 Beta2  Fr= 1--      1.0847                 0.5325                 0.1371
 AlphaG Fr= 1--     -0.3041                 0.1691                 0.0239
 Gamma2 Fr= 1--     -1.3854                -0.1850                 0.0530
 Delta2 Fr= 1--     -0.0713                -1.2714                -0.1500
 Raman1 Fr= 1--     101.671                 21.859                 17.070
 ROA1   Fr= 1--    -135.285                -58.440                  0.287
 CID1   Fr= 1--      -1.331                 -2.673                  0.017
 Raman2 Fr= 1--      13.017                  6.391                  1.646
 ROA2   Fr= 1--     -32.680                  5.732                  2.472
 CID2   Fr= 1--      -2.511                  0.897                  1.502
 Raman3 Fr= 1--      26.033                 12.781                  3.291
 ROA3   Fr= 1--    -135.285                -58.440                  0.287
 CID3   Fr= 1--      -5.197                 -4.572                  0.087
 RC180  Fr= 1--      -0.488                  0.169                 -0.614
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03   0.00     0.05   0.00  -0.01     0.01  -0.01   0.00
     2   6     0.00   0.02  -0.01     0.00  -0.02   0.00     0.07   0.04  -0.01
     3   6     0.04   0.17  -0.03     0.05  -0.10   0.03    -0.03  -0.04   0.01
     4   6    -0.08  -0.00   0.00    -0.02  -0.03  -0.01    -0.00   0.01   0.00
     5   6     0.04  -0.17   0.04    -0.03   0.09  -0.01    -0.02   0.04  -0.01
     6   6     0.01   0.13  -0.03     0.01  -0.01   0.00    -0.01  -0.04   0.01
     7   6    -0.00  -0.12   0.03    -0.01   0.02  -0.00     0.04   0.02  -0.01
     8   1     0.05   0.15  -0.10     0.26  -0.21  -0.03    -0.06  -0.03   0.02
     9   1    -0.06  -0.25   0.05    -0.01   0.11  -0.05     0.06   0.10  -0.02
    10   1    -0.28   0.25  -0.04     0.20  -0.08   0.01    -0.03  -0.03   0.01
    11   6    -0.01   0.03   0.06    -0.12   0.09   0.13     0.01  -0.01  -0.01
    12   6     0.05   0.00  -0.04     0.06  -0.04  -0.12     0.00   0.01   0.01
    13   6     0.01  -0.02   0.01     0.04  -0.05   0.06    -0.00   0.00  -0.01
    14   1    -0.07   0.05   0.18    -0.34   0.14   0.52    -0.00  -0.02  -0.03
    15   1    -0.09  -0.01   0.07    -0.10   0.05   0.21    -0.01  -0.01  -0.01
    16   1     0.03   0.06  -0.28     0.03   0.19  -0.29     0.00  -0.01  -0.02
    17   1    -0.08   0.04  -0.02    -0.02   0.14  -0.34    -0.02  -0.01   0.05
    18   8    -0.01  -0.00   0.00    -0.02   0.00   0.00     0.00   0.00  -0.00
    19   8     0.01  -0.00  -0.02     0.01  -0.00  -0.06    -0.00  -0.00   0.00
    20   1     0.01  -0.01  -0.02     0.01  -0.01  -0.06    -0.01   0.01   0.01
    21   6    -0.06   0.22  -0.05    -0.03   0.01  -0.00    -0.02   0.11  -0.02
    22   6     0.07  -0.01  -0.00    -0.00   0.00   0.00    -0.16  -0.06   0.02
    23   6    -0.02  -0.22   0.05     0.00  -0.00   0.00     0.03  -0.08   0.02
    24   8    -0.00  -0.04   0.01     0.00   0.00  -0.00    -0.15   0.21  -0.04
    25   6    -0.05   0.04  -0.01     0.00   0.00  -0.00     0.18  -0.21   0.04
    26   1     0.33  -0.26   0.02    -0.06   0.04  -0.01     0.24  -0.06  -0.00
    27   1     0.08   0.33  -0.07    -0.06  -0.01   0.01     0.13   0.23  -0.06
    28   1     0.06  -0.25   0.05    -0.01   0.00  -0.00     0.63  -0.34   0.04
    29   1    -0.00   0.03  -0.01    -0.00   0.00   0.00     0.09  -0.15   0.02
    30   1    -0.00   0.03  -0.01    -0.00   0.00  -0.00     0.09  -0.14   0.04
    31   1    -0.07   0.08  -0.02     0.01  -0.01   0.00     0.15  -0.16   0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1090.5916              1098.9766              1166.7862
 Red. masses --      2.1334                 1.9742                 1.5265
 Frc consts  --      1.4950                 1.4048                 1.2244
 IR Inten    --      2.8333                20.1617                18.3443
 RamAct Fr= 1--      2.3578                19.3177                 5.6768
  Dep-P Fr= 1--      0.6717                 0.1950                 0.6154
  Dep-U Fr= 1--      0.8036                 0.3264                 0.7619
 Alpha2 Fr= 1--      0.0033                 0.2658                 0.0140
 Beta2  Fr= 1--      0.3158                 1.0507                 0.7209
 AlphaG Fr= 1--     -0.0071                -0.3918                -0.0046
 Gamma2 Fr= 1--     -0.3718                -3.0414                -0.3825
 Delta2 Fr= 1--      0.2785                 2.5475                -1.3069
 Raman1 Fr= 1--       9.431                 77.271                 22.707
 ROA1   Fr= 1--     -26.783               -210.458                -78.541
 CID1   Fr= 1--      -2.840                 -2.724                 -3.459
 Raman2 Fr= 1--       3.790                 12.609                  8.651
 ROA2   Fr= 1--     -11.152                -93.374                  1.275
 CID2   Fr= 1--      -2.943                 -7.405                  0.147
 Raman3 Fr= 1--       7.579                 25.218                 17.302
 ROA3   Fr= 1--     -26.783               -210.458                -78.541
 CID3   Fr= 1--      -3.534                 -8.346                 -4.540
 RC180  Fr= 1--       0.607                 -0.347                  0.524
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00    -0.02  -0.01   0.01     0.02   0.07  -0.02
     2   6    -0.01   0.02  -0.00     0.00  -0.00  -0.00     0.01   0.05  -0.01
     3   6     0.01   0.00  -0.00    -0.02   0.05   0.00    -0.05  -0.04   0.02
     4   6     0.10   0.06  -0.01     0.05  -0.00  -0.06    -0.06  -0.03   0.00
     5   6     0.02  -0.06   0.01     0.01  -0.02   0.02     0.02   0.05  -0.01
     6   6    -0.05  -0.03   0.01    -0.01  -0.00   0.00    -0.03  -0.04   0.01
     7   6     0.01   0.01  -0.00     0.00   0.01  -0.00    -0.05  -0.06   0.02
     8   1    -0.17   0.08  -0.01    -0.22   0.11  -0.08     0.11  -0.11   0.02
     9   1    -0.04  -0.11   0.05    -0.02  -0.06  -0.03     0.39   0.33  -0.11
    10   1    -0.22   0.03   0.00    -0.10   0.03  -0.01    -0.16   0.01   0.01
    11   6     0.04   0.14  -0.15     0.05  -0.00   0.16     0.05   0.01  -0.00
    12   6    -0.05  -0.13   0.06    -0.11  -0.01  -0.12    -0.02  -0.01   0.00
    13   6     0.05  -0.08  -0.01    -0.02   0.02   0.09     0.01  -0.02  -0.02
    14   1    -0.03   0.23   0.17     0.31   0.10   0.11     0.23   0.11   0.01
    15   1    -0.04   0.11   0.55     0.32   0.13  -0.27     0.05   0.03   0.02
    16   1    -0.06   0.24   0.26    -0.05  -0.03   0.52    -0.01   0.01   0.09
    17   1     0.08   0.17  -0.44     0.32  -0.02  -0.35     0.05   0.00  -0.06
    18   8    -0.02  -0.00  -0.00    -0.03  -0.03   0.00    -0.00   0.00  -0.00
    19   8    -0.02   0.02   0.03     0.04  -0.01  -0.07    -0.01   0.00   0.01
    20   1    -0.04   0.05   0.15     0.05  -0.04  -0.13    -0.02   0.03   0.08
    21   6    -0.01   0.00   0.00     0.01  -0.01   0.00     0.05   0.03  -0.01
    22   6    -0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.02  -0.00   0.00
    23   6     0.01   0.00  -0.00     0.01   0.01  -0.00    -0.04  -0.05   0.01
    24   8     0.00  -0.00  -0.00    -0.01   0.01  -0.00     0.04  -0.02   0.00
    25   6     0.00   0.00  -0.00     0.01  -0.01   0.00    -0.03   0.02  -0.01
    26   1     0.04   0.00  -0.00     0.03   0.00  -0.00    -0.36   0.06   0.01
    27   1    -0.05  -0.03   0.01    -0.01  -0.02   0.01     0.50   0.36  -0.12
    28   1     0.07  -0.03   0.00     0.03   0.00  -0.00     0.01  -0.07   0.02
    29   1    -0.01   0.00   0.00     0.00  -0.01   0.00     0.02   0.00  -0.00
    30   1    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.01   0.02  -0.00
    31   1     0.00  -0.01   0.00     0.01  -0.00   0.00    -0.01  -0.01   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1172.5185              1175.7493              1181.4183
 Red. masses --      1.2705                 2.0340                 1.7999
 Frc consts  --      1.0291                 1.6566                 1.4802
 IR Inten    --      0.8252                77.6461                 6.0445
 RamAct Fr= 1--      0.7579                45.0734                13.3251
  Dep-P Fr= 1--      0.7499                 0.3379                 0.7401
  Dep-U Fr= 1--      0.8571                 0.5052                 0.8506
 Alpha2 Fr= 1--      0.0000                 0.4113                 0.0022
 Beta2  Fr= 1--      0.1083                 3.7949                 1.8891
 AlphaG Fr= 1--     -0.0011                 0.0432                -0.0016
 Gamma2 Fr= 1--     -0.0503                 5.6668                 1.5902
 Delta2 Fr= 1--     -0.0314                 6.2155                -1.7932
 Raman1 Fr= 1--       3.032                180.293                 53.300
 ROA1   Fr= 1--      -5.832                742.912                 95.281
 CID1   Fr= 1--      -1.924                  4.121                  1.788
 Raman2 Fr= 1--       1.299                 45.538                 22.670
 ROA2   Fr= 1--      -0.955                 86.280                 52.511
 CID2   Fr= 1--      -0.735                  1.895                  2.316
 Raman3 Fr= 1--       2.598                 91.077                 45.339
 ROA3   Fr= 1--      -5.832                742.912                 95.281
 CID3   Fr= 1--      -2.245                  8.157                  2.102
 RC180  Fr= 1--       0.714                  0.010                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.02  -0.02   0.00    -0.02   0.04  -0.01
     2   6    -0.00  -0.00  -0.00    -0.03   0.06  -0.01     0.02  -0.04   0.01
     3   6     0.00   0.00   0.00     0.02  -0.05   0.00    -0.02   0.03  -0.01
     4   6     0.00   0.00  -0.00     0.09   0.06   0.00    -0.03  -0.03   0.03
     5   6    -0.00  -0.00   0.00     0.06  -0.02  -0.00    -0.05   0.00  -0.00
     6   6     0.00   0.00   0.00    -0.05  -0.06   0.02     0.05   0.03  -0.01
     7   6     0.00   0.00  -0.00     0.01   0.01  -0.00    -0.03  -0.03   0.01
     8   1    -0.00   0.00  -0.00    -0.16   0.03   0.03     0.09  -0.00   0.02
     9   1    -0.01  -0.00   0.00     0.33   0.19  -0.05    -0.35  -0.21   0.08
    10   1     0.00  -0.00  -0.00    -0.38   0.07   0.01     0.39  -0.10   0.00
    11   6    -0.00  -0.00  -0.00    -0.05  -0.03  -0.05     0.02   0.02  -0.09
    12   6     0.00   0.00   0.00     0.03  -0.01   0.01     0.01  -0.05   0.04
    13   6    -0.00   0.00   0.00    -0.05   0.10   0.15    -0.03   0.06   0.14
    14   1    -0.00  -0.00  -0.00    -0.34  -0.23  -0.18     0.10   0.02  -0.18
    15   1    -0.00  -0.00   0.00    -0.09  -0.04   0.06    -0.06   0.00   0.20
    16   1     0.00   0.00  -0.00     0.01   0.01  -0.12    -0.01   0.07  -0.03
    17   1    -0.00   0.00   0.00    -0.08   0.01   0.04    -0.03   0.05  -0.08
    18   8    -0.00  -0.00   0.00    -0.03  -0.03   0.00    -0.04  -0.03   0.00
    19   8     0.00   0.00  -0.00     0.06   0.01  -0.06     0.05   0.01  -0.05
    20   1     0.00  -0.00  -0.00     0.12  -0.16  -0.46     0.11  -0.14  -0.42
    21   6    -0.00  -0.00   0.00    -0.02   0.02  -0.00     0.04  -0.01   0.00
    22   6     0.00   0.00   0.00    -0.04  -0.02   0.01     0.02   0.03  -0.01
    23   6     0.00  -0.00  -0.00    -0.03   0.00   0.00     0.03  -0.02   0.00
    24   8     0.00   0.01   0.06     0.04  -0.04   0.01    -0.01   0.03  -0.01
    25   6    -0.01  -0.03  -0.13     0.00   0.06  -0.01    -0.03  -0.05   0.01
    26   1     0.00  -0.00  -0.00     0.05  -0.00  -0.00    -0.26   0.06   0.00
    27   1    -0.00   0.00   0.01    -0.03   0.02  -0.00     0.27   0.15  -0.06
    28   1     0.00   0.00   0.01     0.15  -0.08   0.01    -0.05   0.01   0.00
    29   1     0.39  -0.48   0.27    -0.11   0.04   0.03     0.15  -0.04  -0.03
    30   1    -0.36   0.56   0.07    -0.11   0.03  -0.03     0.15  -0.03   0.03
    31   1     0.02   0.07   0.27     0.11  -0.16   0.03    -0.14   0.19  -0.04
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1189.3328              1200.5127              1205.1791
 Red. masses --      1.6680                 1.3746                 1.6281
 Frc consts  --      1.3901                 1.1673                 1.3932
 IR Inten    --     61.4327                23.5445                 0.5224
 RamAct Fr= 1--      8.5836                88.5915                 1.4982
  Dep-P Fr= 1--      0.4369                 0.2067                 0.7214
  Dep-U Fr= 1--      0.6081                 0.3425                 0.8381
 Alpha2 Fr= 1--      0.0554                 1.1820                 0.0007
 Beta2  Fr= 1--      0.8699                 5.0577                 0.2093
 AlphaG Fr= 1--     -0.0170                -0.1517                -0.0008
 Gamma2 Fr= 1--      0.3550                -8.3463                 1.5700
 Delta2 Fr= 1--      0.0150                -0.5761                -0.5524
 Raman1 Fr= 1--      34.334                354.366                  5.993
 ROA1   Fr= 1--      34.555               -819.679                133.041
 CID1   Fr= 1--       1.006                 -2.313                 22.200
 Raman2 Fr= 1--      10.439                 60.692                  2.511
 ROA2   Fr= 1--       8.399               -195.703                 42.099
 CID2   Fr= 1--       0.805                 -3.225                 16.763
 Raman3 Fr= 1--      20.878                121.384                  5.023
 ROA3   Fr= 1--      34.555               -819.679                133.041
 CID3   Fr= 1--       1.655                 -6.753                 26.488
 RC180  Fr= 1--       0.216                 -0.315                  0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.04  -0.01    -0.02   0.01  -0.00    -0.06   0.03  -0.00
     2   6    -0.12   0.05  -0.01     0.01   0.01  -0.00    -0.08   0.06  -0.01
     3   6     0.02   0.02  -0.01    -0.00   0.01  -0.00     0.03  -0.03   0.01
     4   6    -0.03   0.01  -0.01    -0.11  -0.04   0.02     0.03   0.05  -0.02
     5   6    -0.02  -0.03   0.01     0.00   0.04  -0.01     0.01  -0.02   0.00
     6   6     0.05  -0.04   0.01     0.01   0.02  -0.01    -0.00  -0.05   0.01
     7   6     0.04  -0.02   0.00     0.03  -0.02   0.00     0.01  -0.04   0.01
     8   1     0.20  -0.05   0.00     0.36  -0.13   0.03     0.14  -0.07   0.01
     9   1    -0.10  -0.09   0.03     0.30   0.27  -0.08     0.18   0.10  -0.04
    10   1     0.52  -0.23   0.02    -0.08   0.06  -0.01    -0.07  -0.03   0.01
    11   6     0.03   0.00   0.00     0.05   0.01  -0.05     0.00  -0.01   0.02
    12   6    -0.01  -0.00  -0.00    -0.01  -0.03   0.02    -0.01   0.01  -0.01
    13   6     0.00  -0.01  -0.01     0.00   0.01   0.05    -0.01   0.01  -0.02
    14   1     0.08   0.03  -0.00     0.35   0.14  -0.10    -0.15  -0.09   0.02
    15   1     0.03   0.01  -0.01     0.01   0.02   0.11     0.02   0.00  -0.06
    16   1    -0.01  -0.00   0.05    -0.01   0.04   0.02    -0.00  -0.02   0.03
    17   1     0.03  -0.00  -0.03     0.02   0.03  -0.08     0.02  -0.02   0.02
    18   8    -0.00  -0.00   0.00    -0.02  -0.01  -0.00     0.01   0.00   0.00
    19   8    -0.00   0.00   0.00     0.02   0.01  -0.01    -0.00  -0.00   0.00
    20   1     0.00  -0.00   0.02     0.03  -0.04  -0.13    -0.01   0.01   0.06
    21   6    -0.02  -0.01   0.00    -0.03  -0.01   0.01    -0.02  -0.03   0.01
    22   6    -0.09   0.01   0.00     0.02  -0.00  -0.00     0.04   0.06  -0.02
    23   6     0.01   0.02  -0.00    -0.01   0.02  -0.00     0.02  -0.02   0.00
    24   8     0.07  -0.05   0.01    -0.03   0.00   0.00     0.04   0.04  -0.01
    25   6    -0.00   0.08  -0.02     0.02  -0.01  -0.00    -0.10  -0.08   0.02
    26   1     0.24  -0.10   0.01     0.46  -0.19   0.02     0.13  -0.09   0.01
    27   1     0.09   0.07  -0.02    -0.32  -0.22   0.08    -0.12  -0.12   0.04
    28   1     0.54  -0.21   0.02    -0.16   0.08  -0.01     0.22  -0.11   0.01
    29   1    -0.13   0.05   0.03    -0.04   0.00   0.01     0.37  -0.08  -0.08
    30   1    -0.13   0.03  -0.04    -0.04   0.00  -0.00     0.38  -0.04   0.06
    31   1     0.15  -0.24   0.05     0.02  -0.02   0.00    -0.37   0.52  -0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1255.1872              1297.6577              1298.0756
 Red. masses --      1.6515                 1.4057                 1.7895
 Frc consts  --      1.5331                 1.3946                 1.7766
 IR Inten    --     79.4132               158.5150                15.9219
 RamAct Fr= 1--     51.2195                17.2029                 3.7808
  Dep-P Fr= 1--      0.2537                 0.6928                 0.1503
  Dep-U Fr= 1--      0.4047                 0.8185                 0.2613
 Alpha2 Fr= 1--      0.6008                 0.0172                 0.0584
 Beta2  Fr= 1--      3.4545                 2.3468                 0.1646
 AlphaG Fr= 1--      0.2123                -0.0086                 0.0042
 Gamma2 Fr= 1--      4.2225                -3.2384                 4.3513
 Delta2 Fr= 1--      0.7556                -2.2618                -0.2368
 Raman1 Fr= 1--     204.878                 68.812                 15.123
 ROA1   Fr= 1--     429.543               -383.269                410.150
 CID1   Fr= 1--       2.097                 -5.570                 27.121
 Raman2 Fr= 1--      41.455                 28.162                  1.976
 ROA2   Fr= 1--      95.296                -59.628                106.326
 CID2   Fr= 1--       2.299                 -2.117                 53.818
 Raman3 Fr= 1--      82.909                 56.324                  3.951
 ROA3   Fr= 1--     429.543               -383.269                410.150
 CID3   Fr= 1--       5.181                 -6.805                103.801
 RC180  Fr= 1--      -0.191                  0.637                 -0.477
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.09  -0.01     0.03  -0.03   0.01    -0.10  -0.11   0.03
     2   6     0.03   0.02  -0.01    -0.02  -0.01   0.00    -0.07  -0.14   0.04
     3   6     0.00  -0.04   0.01     0.00   0.01  -0.00     0.05   0.05  -0.02
     4   6     0.04   0.09  -0.02    -0.04  -0.01   0.00    -0.01   0.02  -0.00
     5   6    -0.02  -0.01   0.00     0.00  -0.01   0.00     0.03   0.00  -0.00
     6   6     0.02  -0.04   0.01    -0.00   0.02  -0.00    -0.01   0.06  -0.01
     7   6    -0.01  -0.05   0.01     0.00   0.00  -0.00    -0.02   0.04  -0.01
     8   1     0.44  -0.21   0.03    -0.01   0.01   0.00     0.54  -0.14   0.01
     9   1    -0.18  -0.13   0.04     0.05   0.03  -0.02     0.06   0.03  -0.01
    10   1    -0.16   0.03   0.00     0.05  -0.01   0.00    -0.39   0.21  -0.03
    11   6     0.06   0.01   0.01     0.01   0.04   0.05    -0.00  -0.01  -0.01
    12   6    -0.03   0.01  -0.01     0.02  -0.05   0.00    -0.00   0.01   0.00
    13   6    -0.02   0.03  -0.00    -0.03   0.06   0.08     0.00  -0.01  -0.00
    14   1    -0.42  -0.24  -0.01    -0.03  -0.24  -0.57     0.03   0.04   0.08
    15   1     0.06   0.03  -0.05    -0.01   0.01   0.14     0.00  -0.01  -0.03
    16   1    -0.02  -0.01   0.09     0.00   0.11  -0.05    -0.00  -0.01  -0.00
    17   1     0.06  -0.02  -0.01    -0.01   0.05  -0.14     0.00   0.00   0.01
    18   8     0.01  -0.01  -0.00     0.04   0.01  -0.03    -0.00  -0.00   0.00
    19   8    -0.00  -0.01  -0.01    -0.01  -0.05  -0.07     0.00   0.01   0.01
    20   1    -0.02   0.04   0.14    -0.13   0.25   0.63     0.02  -0.03  -0.08
    21   6     0.02  -0.02   0.00     0.00   0.01  -0.00     0.05  -0.01  -0.00
    22   6     0.04   0.01  -0.01     0.02   0.01  -0.00     0.02   0.04  -0.01
    23   6     0.03  -0.03   0.01    -0.00   0.01  -0.00     0.05   0.04  -0.01
    24   8    -0.07  -0.00   0.01    -0.01  -0.00   0.00    -0.03  -0.00   0.00
    25   6     0.05   0.00  -0.00     0.01  -0.00  -0.00     0.02  -0.00  -0.00
    26   1     0.18  -0.14   0.02    -0.14   0.06  -0.00    -0.38   0.19  -0.02
    27   1     0.22   0.12  -0.04    -0.07  -0.05   0.02     0.07   0.01  -0.01
    28   1    -0.37   0.14  -0.01     0.12  -0.05   0.00     0.43  -0.12  -0.00
    29   1    -0.14   0.03   0.02    -0.02   0.01   0.00    -0.05   0.01   0.01
    30   1    -0.14   0.02  -0.02    -0.02   0.01  -0.00    -0.05   0.00  -0.00
    31   1     0.12  -0.15   0.03     0.00   0.01  -0.00     0.03  -0.04   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1306.9432              1325.6110              1336.5931
 Red. masses --      2.7635                 2.2360                 1.7766
 Frc consts  --      2.7811                 2.3150                 1.8700
 IR Inten    --    267.8263                 8.6375               143.1484
 RamAct Fr= 1--     18.1620                21.0536                 6.5175
  Dep-P Fr= 1--      0.1253                 0.2537                 0.7497
  Dep-U Fr= 1--      0.2227                 0.4047                 0.8569
 Alpha2 Fr= 1--      0.2988                 0.2470                 0.0000
 Beta2  Fr= 1--      0.6740                 1.4200                 0.9308
 AlphaG Fr= 1--     -0.1138                 0.2257                -0.0068
 Gamma2 Fr= 1--     -1.3249                 0.1147                 4.9956
 Delta2 Fr= 1--     -0.5488                 0.7652                 2.2497
 Raman1 Fr= 1--      72.648                 84.214                 26.070
 ROA1   Fr= 1--    -144.749                 35.495                551.569
 CID1   Fr= 1--      -1.992                  0.421                 21.157
 Raman2 Fr= 1--       8.088                 17.040                 11.170
 ROA2   Fr= 1--     -27.407                 -3.370                101.897
 CID2   Fr= 1--      -3.389                 -0.198                  9.122
 Raman3 Fr= 1--      16.175                 34.080                 22.340
 ROA3   Fr= 1--    -144.749                 35.495                551.569
 CID3   Fr= 1--      -8.949                  1.042                 24.690
 RC180  Fr= 1--      -0.555                 -0.191                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.01     0.14  -0.05   0.00     0.00  -0.00  -0.00
     2   6    -0.11   0.10  -0.02     0.02  -0.01   0.00     0.00  -0.00   0.00
     3   6     0.02  -0.02   0.00    -0.05  -0.03   0.01    -0.01   0.01  -0.01
     4   6     0.01   0.01  -0.00    -0.15   0.02   0.01    -0.00  -0.01   0.02
     5   6    -0.01  -0.04   0.01    -0.00  -0.02   0.00     0.00  -0.00  -0.00
     6   6    -0.01  -0.03   0.01     0.01   0.03  -0.01    -0.00   0.00  -0.00
     7   6    -0.00  -0.09   0.02     0.03   0.00  -0.00    -0.00   0.00  -0.00
     8   1    -0.29   0.10  -0.01     0.07  -0.09   0.03    -0.02   0.02   0.02
     9   1     0.26   0.16  -0.05    -0.01  -0.02   0.01     0.02   0.02   0.02
    10   1     0.34  -0.17   0.02     0.12  -0.01  -0.00     0.04  -0.01   0.00
    11   6    -0.02  -0.01  -0.01     0.21   0.05  -0.03     0.01  -0.08  -0.14
    12   6     0.00   0.01  -0.00    -0.07   0.01   0.00    -0.03   0.06   0.03
    13   6     0.01  -0.01  -0.01    -0.02   0.01  -0.04     0.01   0.04   0.15
    14   1     0.08   0.08   0.10    -0.62  -0.28   0.18    -0.07   0.23   0.71
    15   1    -0.02  -0.01  -0.02     0.19   0.09  -0.09     0.01  -0.03  -0.20
    16   1     0.00  -0.03  -0.00    -0.05   0.00   0.12    -0.02  -0.16   0.00
    17   1    -0.01  -0.01   0.04     0.17  -0.07  -0.02     0.06  -0.04   0.11
    18   8    -0.01  -0.00   0.00    -0.02  -0.02   0.01     0.02   0.01  -0.03
    19   8     0.00   0.01   0.01     0.01   0.01   0.02    -0.01  -0.04  -0.08
    20   1     0.03  -0.05  -0.11     0.04  -0.06  -0.16    -0.09   0.18   0.49
    21   6     0.04   0.02  -0.01    -0.02   0.04  -0.01     0.00   0.00  -0.00
    22   6     0.23   0.11  -0.04    -0.02   0.01  -0.00    -0.00  -0.00   0.00
    23   6     0.03  -0.04   0.01    -0.05  -0.00   0.00    -0.01   0.00  -0.00
    24   8    -0.17  -0.02   0.02     0.02  -0.01   0.00     0.00  -0.00  -0.00
    25   6     0.10  -0.02  -0.00    -0.01   0.01  -0.00    -0.00   0.00   0.00
    26   1    -0.43   0.07   0.01    -0.27   0.14  -0.02     0.02  -0.01   0.00
    27   1    -0.23  -0.18   0.06    -0.28  -0.15   0.05    -0.00  -0.00   0.00
    28   1     0.13  -0.07   0.01     0.12  -0.08   0.01     0.02  -0.01   0.00
    29   1    -0.28   0.06   0.03     0.01  -0.00   0.00     0.00   0.00  -0.00
    30   1    -0.29   0.05  -0.01     0.01  -0.00  -0.00     0.01   0.00   0.00
    31   1     0.09  -0.04   0.00    -0.02   0.03  -0.01    -0.00   0.01  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1386.4146              1403.8475              1410.3404
 Red. masses --      2.4101                 2.8030                 3.8580
 Frc consts  --      2.7294                 3.2548                 4.5213
 IR Inten    --     15.8258                 8.0542                 2.0159
 RamAct Fr= 1--     45.9892                42.1289               523.8757
  Dep-P Fr= 1--      0.1706                 0.1802                 0.2022
  Dep-U Fr= 1--      0.2914                 0.3054                 0.3364
 Alpha2 Fr= 1--      0.6745                 0.6027                 7.0725
 Beta2  Fr= 1--      2.2336                 2.1442                29.3734
 AlphaG Fr= 1--     -0.1008                 0.0199                 0.0113
 Gamma2 Fr= 1--     -0.6684                -0.2039                 3.0027
 Delta2 Fr= 1--     -0.8418                 1.1857                 1.7065
 Raman1 Fr= 1--     183.957                168.516               2095.503
 ROA1   Fr= 1--     -91.101                 18.365                342.867
 CID1   Fr= 1--      -0.495                  0.109                  0.164
 Raman2 Fr= 1--      26.804                 25.731                352.481
 ROA2   Fr= 1--      -9.306                -14.380                 58.412
 CID2   Fr= 1--      -0.347                 -0.559                  0.166
 Raman3 Fr= 1--      53.608                 51.462                704.963
 ROA3   Fr= 1--     -91.101                 18.365                342.867
 CID3   Fr= 1--      -1.699                  0.357                  0.486
 RC180  Fr= 1--      -0.417                 -0.389                 -0.327
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.10  -0.03    -0.07  -0.08   0.02    -0.05  -0.23   0.06
     2   6     0.05  -0.04   0.01    -0.05   0.02  -0.00     0.11   0.25  -0.07
     3   6    -0.06  -0.07   0.02     0.16  -0.06   0.00     0.05  -0.04   0.01
     4   6    -0.02   0.10  -0.02    -0.08   0.07  -0.01    -0.04   0.17  -0.04
     5   6    -0.02   0.04  -0.01    -0.15  -0.09   0.03    -0.06  -0.03   0.01
     6   6     0.10  -0.04   0.00     0.11   0.05  -0.02     0.10  -0.09   0.02
     7   6     0.12  -0.06   0.01     0.11   0.06  -0.02    -0.07   0.03  -0.00
     8   1    -0.02  -0.09   0.02    -0.36   0.14  -0.01     0.36  -0.17   0.03
     9   1    -0.36  -0.21   0.07     0.34   0.29  -0.09    -0.23  -0.15   0.05
    10   1    -0.47   0.19  -0.02     0.02   0.10  -0.03     0.03  -0.06   0.01
    11   6    -0.04  -0.04   0.00     0.03   0.01  -0.01    -0.03  -0.04   0.01
    12   6     0.01   0.00   0.00    -0.01   0.00   0.02    -0.01  -0.00   0.06
    13   6     0.01  -0.00   0.02    -0.00   0.00   0.00     0.01  -0.00   0.01
    14   1     0.38   0.16  -0.04     0.02   0.00   0.00     0.38   0.15  -0.07
    15   1    -0.05  -0.03   0.01     0.04   0.00  -0.04     0.06  -0.09  -0.19
    16   1     0.01  -0.03  -0.02    -0.01  -0.02  -0.07    -0.03  -0.03  -0.27
    17   1    -0.02   0.01  -0.00     0.08   0.01  -0.05     0.11   0.12  -0.21
    18   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   8    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.01   0.01   0.03     0.01  -0.00   0.02    -0.00   0.00   0.00
    21   6    -0.06  -0.02   0.01    -0.12  -0.05   0.02     0.10   0.08  -0.03
    22   6    -0.08   0.18  -0.04    -0.06   0.02  -0.00     0.02  -0.10   0.02
    23   6    -0.02  -0.10   0.02     0.15  -0.06   0.00    -0.14   0.02   0.00
    24   8     0.02  -0.03   0.01     0.00   0.02  -0.00     0.02  -0.00  -0.00
    25   6     0.01   0.03  -0.01    -0.02   0.01  -0.00    -0.01  -0.01   0.00
    26   1    -0.26   0.10  -0.01    -0.17   0.19  -0.03    -0.26   0.10  -0.01
    27   1    -0.30  -0.19   0.07     0.25   0.23  -0.07    -0.16  -0.11   0.04
    28   1     0.09  -0.16   0.03    -0.42   0.18  -0.02    -0.10   0.01   0.01
    29   1    -0.01  -0.02   0.04     0.10  -0.02   0.00    -0.02   0.01  -0.01
    30   1    -0.01  -0.03  -0.03     0.10  -0.03  -0.01    -0.02   0.01   0.01
    31   1     0.06  -0.08   0.02     0.07  -0.15   0.03    -0.05   0.09  -0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1415.3104              1456.4067              1480.1876
 Red. masses --      1.2770                 3.5667                 1.2097
 Frc consts  --      1.5071                 4.4574                 1.5616
 IR Inten    --     11.2387                 1.5386                 8.5230
 RamAct Fr= 1--     28.4798               199.2410                 7.9967
  Dep-P Fr= 1--      0.1697                 0.2495                 0.4603
  Dep-U Fr= 1--      0.2902                 0.3993                 0.6304
 Alpha2 Fr= 1--      0.4186                 2.3649                 0.0470
 Beta2  Fr= 1--      1.3775                13.2600                 0.8402
 AlphaG Fr= 1--     -0.1078                -0.5893                -0.0044
 Gamma2 Fr= 1--     -1.2639                -1.7953                -0.5995
 Delta2 Fr= 1--      0.4343                 0.7992                 0.0194
 Raman1 Fr= 1--     113.919                796.964                 31.987
 ROA1   Fr= 1--    -107.439               -146.777                -56.926
 CID1   Fr= 1--      -0.943                 -0.184                 -1.780
 Raman2 Fr= 1--      16.530                159.120                 10.083
 ROA2   Fr= 1--     -33.808                -49.481                -14.542
 CID2   Fr= 1--      -2.045                 -0.311                 -1.442
 Raman3 Fr= 1--      33.060                318.240                 20.166
 ROA3   Fr= 1--    -107.439               -146.777                -56.926
 CID3   Fr= 1--      -3.250                 -0.461                 -2.823
 RC180  Fr= 1--      -0.420                 -0.201                  0.261
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.01    -0.16   0.01   0.01     0.02  -0.00  -0.00
     2   6     0.02   0.03  -0.01     0.18  -0.00  -0.01    -0.01  -0.01   0.00
     3   6     0.01  -0.01   0.00     0.13   0.03  -0.02     0.01  -0.02   0.00
     4   6    -0.02   0.02  -0.00     0.02  -0.17   0.04    -0.03   0.01  -0.00
     5   6    -0.02  -0.01   0.00    -0.14   0.05  -0.00    -0.00   0.01  -0.00
     6   6     0.02  -0.00  -0.00     0.13  -0.00  -0.01     0.03  -0.01  -0.00
     7   6    -0.00   0.01  -0.00    -0.11   0.00   0.01     0.01   0.03  -0.01
     8   1     0.06  -0.03  -0.00    -0.41   0.26  -0.04    -0.06   0.01   0.00
     9   1     0.01   0.01  -0.01     0.08   0.23  -0.06    -0.06  -0.03   0.01
    10   1     0.02  -0.00  -0.00    -0.20   0.15  -0.02    -0.08   0.04  -0.00
    11   6     0.01  -0.01  -0.01     0.03   0.05  -0.01     0.00  -0.00  -0.00
    12   6     0.04   0.01  -0.13    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    13   6    -0.01   0.00   0.02    -0.00  -0.00  -0.01     0.00   0.00   0.00
    14   1     0.03   0.02   0.03    -0.33  -0.12   0.04     0.03   0.01  -0.01
    15   1    -0.24   0.13   0.44     0.08   0.04   0.00     0.02   0.03   0.04
    16   1     0.08   0.00   0.59    -0.02   0.05  -0.04    -0.00  -0.01  -0.02
    17   1    -0.29  -0.23   0.45     0.04  -0.02   0.00     0.04  -0.03   0.02
    18   8     0.01   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.01   0.01   0.03     0.01  -0.01  -0.01     0.00   0.00  -0.00
    21   6     0.01   0.01  -0.00     0.13  -0.05   0.00    -0.05  -0.03   0.01
    22   6    -0.00  -0.01   0.00    -0.04   0.16  -0.04    -0.01  -0.01   0.00
    23   6    -0.02  -0.00   0.00    -0.14  -0.03   0.02    -0.01   0.01  -0.00
    24   8     0.01  -0.00  -0.00     0.02  -0.04   0.01     0.03  -0.01   0.00
    25   6    -0.00   0.00  -0.00     0.01   0.02  -0.00     0.07  -0.07   0.01
    26   1    -0.06   0.03  -0.00     0.18  -0.13   0.02     0.10  -0.00  -0.01
    27   1    -0.03  -0.02   0.01    -0.06  -0.20   0.05     0.16   0.12  -0.04
    28   1    -0.03   0.00   0.00     0.31  -0.24   0.04     0.04  -0.01   0.00
    29   1     0.01  -0.00   0.00    -0.06  -0.02   0.05    -0.43   0.25  -0.21
    30   1     0.01  -0.00  -0.00    -0.07  -0.04  -0.03    -0.41   0.33   0.12
    31   1    -0.00   0.00  -0.00     0.01   0.03  -0.01    -0.21   0.51  -0.11
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1492.1896              1496.3523              1496.4379
 Red. masses --      1.0470                 1.0466                 1.0582
 Frc consts  --      1.3736                 1.3807                 1.3962
 IR Inten    --      8.9871                 8.8947                 5.7811
 RamAct Fr= 1--      6.9517                11.6139                 4.3001
  Dep-P Fr= 1--      0.6870                 0.7498                 0.7189
  Dep-U Fr= 1--      0.8145                 0.8570                 0.8365
 Alpha2 Fr= 1--      0.0077                 0.0000                 0.0023
 Beta2  Fr= 1--      0.9437                 1.6589                 0.5995
 AlphaG Fr= 1--     -0.0161                -0.0037                 0.0501
 Gamma2 Fr= 1--      0.4362                -0.8172                 1.6402
 Delta2 Fr= 1--     -0.9072                 0.4252                 1.4601
 Raman1 Fr= 1--      27.807                 46.455                 17.200
 ROA1   Fr= 1--      12.847                -64.849                204.178
 CID1   Fr= 1--       0.462                 -1.396                 11.871
 Raman2 Fr= 1--      11.324                 19.906                  7.194
 ROA2   Fr= 1--      17.727                -23.015                 27.683
 CID2   Fr= 1--       1.565                 -1.156                  3.848
 Raman3 Fr= 1--      22.648                 39.813                 14.388
 ROA3   Fr= 1--      12.847                -64.849                204.178
 CID3   Fr= 1--       0.567                 -1.629                 14.191
 RC180  Fr= 1--       0.629                  0.714                  0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.01   0.01  -0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.00
     7   6    -0.01  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.02   0.01   0.01
     9   1    -0.02  -0.02   0.01    -0.00  -0.00   0.00    -0.04  -0.03   0.01
    10   1    -0.02   0.00   0.00    -0.00   0.00   0.00    -0.03   0.00   0.00
    11   6    -0.02   0.01   0.00    -0.00  -0.00  -0.00    -0.02  -0.02  -0.01
    12   6    -0.04   0.03  -0.02    -0.00  -0.00  -0.00    -0.03  -0.04  -0.01
    13   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    14   1     0.03   0.01  -0.06     0.00   0.00   0.00     0.04   0.03   0.04
    15   1     0.01   0.24   0.43     0.05   0.02   0.00     0.59   0.29   0.04
    16   1    -0.02  -0.41  -0.30    -0.01   0.05  -0.02    -0.08   0.57  -0.22
    17   1     0.60  -0.32   0.12    -0.01  -0.02   0.03    -0.08  -0.22   0.33
    18   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.00  -0.00
    19   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    21   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    22   6     0.01  -0.00   0.00     0.00  -0.00  -0.00     0.01  -0.00   0.00
    23   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.01    -0.00   0.00   0.00
    25   6    -0.01   0.00  -0.00    -0.00  -0.01  -0.06    -0.00   0.00   0.00
    26   1     0.01  -0.01   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00  -0.00    -0.00  -0.01  -0.02     0.01   0.01  -0.00
    28   1     0.01   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    29   1     0.03  -0.02   0.01    -0.47  -0.03   0.11     0.06  -0.00  -0.01
    30   1     0.03  -0.02  -0.01     0.48   0.05   0.03    -0.02  -0.01  -0.00
    31   1     0.02  -0.04   0.01     0.05   0.17   0.70     0.01  -0.04  -0.05
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.5567              1525.5232              1546.8706
 Red. masses --      1.0584                 2.3935                 3.5087
 Frc consts  --      1.4154                 3.2819                 4.9465
 IR Inten    --     49.8362                34.1874                75.4727
 RamAct Fr= 1--     15.6195               149.6518                 8.0174
  Dep-P Fr= 1--      0.4480                 0.2443                 0.2185
  Dep-U Fr= 1--      0.6187                 0.3926                 0.3586
 Alpha2 Fr= 1--      0.0965                 1.8023                 0.1036
 Beta2  Fr= 1--      1.6108                 9.7928                 0.4792
 AlphaG Fr= 1--     -0.0176                -0.3348                 0.1292
 Gamma2 Fr= 1--     -0.0239                -1.2453                -0.2958
 Delta2 Fr= 1--      0.0477                 0.8179                -0.1637
 Raman1 Fr= 1--      62.478                598.607                 32.069
 ROA1   Fr= 1--      -0.764                -93.376                -33.635
 CID1   Fr= 1--      -0.012                 -0.156                 -1.049
 Raman2 Fr= 1--      19.329                117.514                  5.751
 ROA2   Fr= 1--      -0.954                -36.430                 -5.790
 CID2   Fr= 1--      -0.049                 -0.310                 -1.007
 Raman3 Fr= 1--      38.658                235.028                 11.501
 ROA3   Fr= 1--      -0.764                -93.376                -33.635
 CID3   Fr= 1--      -0.020                 -0.397                 -2.925
 RC180  Fr= 1--       0.237                 -0.215                 -0.283
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.08  -0.02  -0.00     0.14  -0.05   0.00
     2   6     0.00   0.00  -0.00    -0.12   0.03  -0.00     0.13  -0.07   0.01
     3   6     0.00  -0.00   0.00     0.07  -0.04   0.01    -0.05  -0.06   0.02
     4   6    -0.01  -0.01   0.00    -0.13  -0.02   0.01     0.02   0.17  -0.04
     5   6     0.00   0.01  -0.00     0.06   0.10  -0.03    -0.05  -0.13   0.03
     6   6     0.01  -0.01   0.00     0.11  -0.08   0.01    -0.09   0.10  -0.02
     7   6    -0.01  -0.00   0.00    -0.08   0.06  -0.01    -0.13   0.12  -0.02
     8   1    -0.02   0.01  -0.00    -0.26   0.08  -0.00     0.13  -0.14   0.03
     9   1    -0.03  -0.01   0.00    -0.37  -0.21   0.07     0.26   0.09  -0.04
    10   1    -0.03   0.01  -0.00    -0.40   0.11  -0.00     0.34  -0.07  -0.00
    11   6     0.00   0.00  -0.00     0.04   0.01  -0.01    -0.02  -0.03   0.01
    12   6     0.00   0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    14   1    -0.01  -0.00   0.00     0.01  -0.00   0.00     0.17   0.06  -0.02
    15   1    -0.02  -0.01  -0.01    -0.09  -0.06  -0.03     0.03   0.01   0.00
    16   1     0.00  -0.01   0.01     0.02  -0.03   0.09    -0.00   0.02  -0.02
    17   1    -0.01   0.01  -0.01    -0.06   0.05  -0.04    -0.00  -0.02   0.02
    18   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    19   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.00   0.00  -0.01    -0.00   0.01  -0.00
    21   6     0.00  -0.00   0.00    -0.05  -0.06   0.02    -0.05  -0.15   0.04
    22   6     0.02   0.01  -0.00     0.14  -0.02  -0.00     0.08   0.16  -0.04
    23   6    -0.01   0.00   0.00    -0.03   0.05  -0.01    -0.10  -0.03   0.01
    24   8    -0.02  -0.01   0.00    -0.05   0.01   0.00    -0.03  -0.02   0.01
    25   6    -0.04  -0.04   0.01    -0.02   0.02  -0.00    -0.01   0.02  -0.00
    26   1     0.01  -0.01   0.00     0.30  -0.09   0.00     0.45  -0.11  -0.00
    27   1    -0.01  -0.01   0.00     0.32   0.20  -0.07     0.38   0.15  -0.06
    28   1     0.04  -0.02   0.00     0.17  -0.02  -0.01     0.24  -0.18   0.03
    29   1     0.20   0.37  -0.48     0.12  -0.15   0.15     0.06  -0.05   0.05
    30   1     0.26   0.55   0.23     0.11  -0.21  -0.08     0.06  -0.07  -0.03
    31   1     0.14  -0.36   0.08     0.05  -0.13   0.03     0.06  -0.12   0.02
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1607.0611              1651.6738              1675.6847
 Red. masses --      6.7904                 5.6376                 6.2950
 Frc consts  --     10.3326                 9.0614                10.4143
 IR Inten    --      4.9758                84.6562                86.1766
 RamAct Fr= 1--     89.0071                27.4334               438.6425
  Dep-P Fr= 1--      0.5627                 0.5938                 0.3684
  Dep-U Fr= 1--      0.7202                 0.7452                 0.5385
 Alpha2 Fr= 1--      0.3161                 0.0796                 3.6241
 Beta2  Fr= 1--     10.6833                 3.4071                39.3655
 AlphaG Fr= 1--      0.2918                -0.0311                -0.1516
 Gamma2 Fr= 1--     -1.6232                 0.5050                 5.0340
 Delta2 Fr= 1--      0.9990                -1.6638                 0.6664
 Raman1 Fr= 1--     356.028                109.733               1754.570
 ROA1   Fr= 1--    -123.856                 -4.759                504.585
 CID1   Fr= 1--      -0.348                 -0.043                  0.288
 Raman2 Fr= 1--     128.200                 40.885                472.386
 ROA2   Fr= 1--     -46.948                 25.431                115.484
 CID2   Fr= 1--      -0.366                  0.622                  0.244
 Raman3 Fr= 1--     256.400                 81.770                944.771
 ROA3   Fr= 1--    -123.856                 -4.759                504.585
 CID3   Fr= 1--      -0.483                 -0.058                  0.534
 RC180  Fr= 1--       0.440                  0.490                  0.077
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.27  -0.07    -0.05  -0.02   0.01    -0.25   0.09  -0.01
     2   6    -0.09  -0.26   0.07     0.00   0.00  -0.00     0.24  -0.08   0.00
     3   6     0.10  -0.17   0.03     0.22  -0.12   0.02     0.20  -0.09   0.01
     4   6    -0.04   0.22  -0.05    -0.20   0.10  -0.01    -0.12   0.07  -0.01
     5   6    -0.17  -0.14   0.05     0.24   0.06  -0.03     0.15   0.03  -0.02
     6   6     0.13   0.08  -0.03    -0.24   0.02   0.01    -0.21   0.05   0.00
     7   6    -0.15  -0.09   0.03    -0.19   0.02   0.01     0.25  -0.07   0.00
     8   1    -0.34   0.01   0.02    -0.35   0.09   0.00    -0.32   0.11  -0.01
     9   1     0.18   0.13  -0.04    -0.21  -0.30   0.09    -0.09  -0.16   0.04
    10   1    -0.12   0.19  -0.04     0.18  -0.17   0.03     0.24  -0.14   0.02
    11   6    -0.00  -0.02   0.00     0.02  -0.02  -0.00     0.01  -0.01   0.00
    12   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   6     0.00   0.00   0.00    -0.00   0.00   0.01     0.00   0.00   0.00
    14   1     0.17   0.06  -0.02     0.11   0.03  -0.01     0.07   0.02  -0.01
    15   1     0.01  -0.00  -0.02    -0.02  -0.01  -0.00    -0.00  -0.00  -0.00
    16   1    -0.00   0.02   0.00     0.01  -0.00   0.03     0.00   0.01   0.01
    17   1    -0.02   0.00   0.00    -0.02   0.00   0.00    -0.01  -0.00   0.01
    18   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    19   8    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.00     0.00   0.00  -0.02     0.01  -0.00  -0.02
    21   6     0.21   0.16  -0.05     0.20   0.02  -0.02    -0.18  -0.01   0.01
    22   6     0.00  -0.24   0.06    -0.19   0.13  -0.02     0.15  -0.11   0.02
    23   6    -0.05   0.16  -0.04     0.19  -0.13   0.02    -0.23   0.11  -0.01
    24   8     0.01   0.02  -0.00     0.02  -0.02   0.00    -0.01   0.01  -0.00
    25   6    -0.01  -0.01   0.00     0.02  -0.00   0.00    -0.02   0.01  -0.00
    26   1     0.09  -0.20   0.04     0.15  -0.13   0.02    -0.30   0.16  -0.02
    27   1    -0.27  -0.18   0.06    -0.17  -0.25   0.07     0.09   0.20  -0.05
    28   1     0.23   0.05  -0.03    -0.28   0.06   0.00     0.31  -0.11   0.01
    29   1     0.01   0.00  -0.02    -0.06   0.05  -0.04     0.05  -0.04   0.04
    30   1     0.01   0.01   0.01    -0.05   0.06   0.02     0.05  -0.05  -0.02
    31   1    -0.03   0.03  -0.01     0.01   0.03  -0.01    -0.01  -0.02   0.01
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1835.6012              3011.2051              3013.1942
 Red. masses --     10.4357                 1.0347                 1.0813
 Frc consts  --     20.7172                 5.5275                 5.7843
 IR Inten    --    403.0044                66.4052                 9.6799
 RamAct Fr= 1--     33.7764               271.8331                98.8986
  Dep-P Fr= 1--      0.3583                 0.0493                 0.1486
  Dep-U Fr= 1--      0.5275                 0.0939                 0.2587
 Alpha2 Fr= 1--      0.2886                 5.3790                 1.5343
 Beta2  Fr= 1--      2.9698                 4.2540                 4.2649
 AlphaG Fr= 1--     -1.2756                 0.1036                -0.4692
 Gamma2 Fr= 1--     -6.4057                 0.1930                -3.6847
 Delta2 Fr= 1--      0.9674                 0.0489                -2.7537
 Raman1 Fr= 1--     135.106               1087.332                395.595
 ROA1   Fr= 1--    -583.994                 20.092               -441.848
 CID1   Fr= 1--      -4.323                  0.018                 -1.117
 Raman2 Fr= 1--      35.637                 51.049                 51.178
 ROA2   Fr= 1--    -161.477                  4.241                -66.402
 CID2   Fr= 1--      -4.531                  0.083                 -1.297
 Raman3 Fr= 1--      71.275                102.097                102.357
 ROA3   Fr= 1--    -583.994                 20.092               -441.848
 CID3   Fr= 1--      -8.194                  0.197                 -4.317
 RC180  Fr= 1--       0.055                 -0.812                 -0.483
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6    -0.01  -0.02   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1    -0.00   0.00  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   1    -0.01  -0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.00
    10   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.03  -0.03  -0.00    -0.00   0.00  -0.00     0.04  -0.07   0.03
    12   6     0.01   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.01  -0.00
    13   6     0.59   0.42  -0.17     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.02  -0.02  -0.04     0.01  -0.03   0.01    -0.42   0.83  -0.34
    15   1     0.01   0.03   0.03    -0.00   0.00  -0.00     0.04  -0.08   0.03
    16   1     0.02   0.05   0.03     0.00  -0.00   0.00     0.01   0.00   0.00
    17   1    -0.06  -0.03   0.10     0.00  -0.00  -0.00    -0.01  -0.02  -0.01
    18   8    -0.37  -0.26   0.12    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8    -0.04  -0.04  -0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    20   1    -0.07   0.16   0.41    -0.00  -0.00   0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   6    -0.01   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    24   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00  -0.00    -0.01   0.05  -0.01    -0.00   0.00  -0.00
    26   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00    -0.01   0.02  -0.00    -0.00   0.00  -0.00
    28   1    -0.01   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    29   1     0.00  -0.00   0.00    -0.11  -0.49  -0.45    -0.00  -0.02  -0.01
    30   1    -0.00  -0.00  -0.00    -0.04  -0.23   0.63    -0.00  -0.01   0.02
    31   1    -0.00   0.00   0.00     0.27   0.12  -0.05     0.01   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3050.3384              3068.4082              3114.0082
 Red. masses --      1.0348                 1.1060                 1.1027
 Frc consts  --      5.6729                 6.1353                 6.3002
 IR Inten    --     16.5044                34.2676                15.7118
 RamAct Fr= 1--    189.0226                94.1776                35.9651
  Dep-P Fr= 1--      0.0334                 0.7500                 0.6609
  Dep-U Fr= 1--      0.0646                 0.8571                 0.7959
 Alpha2 Fr= 1--      3.8841                 0.0000                 0.0571
 Beta2  Fr= 1--      2.0340                13.4537                 4.7705
 AlphaG Fr= 1--     -0.6035                 0.0312                 0.0157
 Gamma2 Fr= 1--      0.6712                 0.4647                -5.8124
 Delta2 Fr= 1--      4.3844                 0.8476                -2.2514
 Raman1 Fr= 1--     756.090                376.710                143.860
 ROA1   Fr= 1--     204.733                 71.739               -630.031
 CID1   Fr= 1--       0.271                  0.190                 -4.379
 Raman2 Fr= 1--      24.408                161.444                 57.246
 ROA2   Fr= 1--     -18.967                  4.373               -121.486
 CID2   Fr= 1--      -0.777                  0.027                 -2.122
 Raman3 Fr= 1--      48.815                322.888                114.492
 ROA3   Fr= 1--     204.733                 71.739               -630.031
 CID3   Fr= 1--       4.194                  0.222                 -5.503
 RC180  Fr= 1--      -0.871                  0.714                  0.592
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   1    -0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.01  -0.03   0.01
     9   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.01   0.00
    10   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    12   6    -0.00  -0.00   0.05     0.00   0.00  -0.00     0.01  -0.09  -0.01
    13   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.02   0.03  -0.01     0.00  -0.00   0.00    -0.03   0.07  -0.03
    15   1    -0.25   0.52  -0.23     0.00  -0.00   0.00    -0.30   0.59  -0.28
    16   1     0.47   0.03  -0.03    -0.00  -0.00   0.00    -0.03  -0.02   0.00
    17   1    -0.20  -0.50  -0.32     0.00   0.00   0.00     0.23   0.54   0.36
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   8    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    25   6     0.00  -0.00  -0.00    -0.01  -0.02  -0.09     0.00   0.00  -0.00
    26   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    27   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    28   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    29   1     0.00   0.00   0.00     0.13   0.52   0.45     0.00   0.00   0.00
    30   1     0.00   0.00  -0.00    -0.06  -0.25   0.65    -0.00  -0.00   0.00
    31   1    -0.00  -0.00   0.00    -0.00  -0.01  -0.02    -0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3132.7215              3137.5546              3155.9987
 Red. masses --      1.1021                 1.0990                 1.0898
 Frc consts  --      6.3725                 6.3745                 6.3954
 IR Inten    --     17.8231                22.9914                 6.2709
 RamAct Fr= 1--    226.2791               191.8108                42.8124
  Dep-P Fr= 1--      0.4680                 0.4461                 0.3296
  Dep-U Fr= 1--      0.6376                 0.6170                 0.4958
 Alpha2 Fr= 1--      1.2880                 1.1943                 0.4011
 Beta2  Fr= 1--     24.0453                19.7242                 3.5375
 AlphaG Fr= 1--      0.7919                -0.0629                -0.2574
 Gamma2 Fr= 1--      6.4426                -0.0397                 1.0325
 Delta2 Fr= 1--     -0.6301                -0.2666                 1.2562
 Raman1 Fr= 1--     905.117                767.243                171.250
 ROA1   Fr= 1--     598.325                -12.340                139.321
 CID1   Fr= 1--       0.661                 -0.016                  0.814
 Raman2 Fr= 1--     288.544                236.690                 42.450
 ROA2   Fr= 1--     159.662                  1.180                 14.731
 CID2   Fr= 1--       0.553                  0.005                  0.347
 Raman3 Fr= 1--     577.087                473.380                 84.900
 ROA3   Fr= 1--     598.325                -12.340                139.321
 CID3   Fr= 1--       1.037                 -0.026                  1.641
 RC180  Fr= 1--       0.275                  0.234                 -0.008
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.03  -0.08   0.02
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
     8   1     0.01   0.01  -0.00     0.00   0.00  -0.00     0.36   0.89  -0.24
     9   1    -0.01   0.01  -0.00     0.00  -0.00   0.00    -0.02   0.02  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.02  -0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.09  -0.01  -0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.01  -0.03   0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.10  -0.25   0.11    -0.00   0.00  -0.00    -0.01   0.03  -0.01
    16   1     0.88   0.06  -0.07    -0.01  -0.00   0.00    -0.01  -0.00   0.00
    17   1     0.10   0.29   0.18    -0.00  -0.00  -0.00     0.00   0.01   0.01
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    25   6    -0.00  -0.00   0.00    -0.08  -0.05   0.02     0.00  -0.00   0.00
    26   1    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.04  -0.08   0.02
    27   1     0.00  -0.00   0.00     0.02  -0.02   0.00    -0.01   0.01  -0.00
    28   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   1     0.00   0.00   0.00     0.02   0.13   0.14     0.00   0.00   0.00
    30   1     0.00   0.00  -0.00     0.00   0.05  -0.18     0.00   0.00  -0.00
    31   1     0.01   0.00  -0.00     0.87   0.38  -0.15    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3162.7325              3174.0610              3181.3778
 Red. masses --      1.0866                 1.0892                 1.0944
 Frc consts  --      6.4037                 6.4650                 6.5261
 IR Inten    --      5.1240                 7.3930                12.8746
 RamAct Fr= 1--     88.0309                71.2297               136.4228
  Dep-P Fr= 1--      0.6084                 0.4463                 0.2064
  Dep-U Fr= 1--      0.7565                 0.6172                 0.3422
 Alpha2 Fr= 1--      0.2297                 0.4431                 1.8213
 Beta2  Fr= 1--     11.0994                 7.3270                 7.7806
 AlphaG Fr= 1--      0.1626                 0.0054                 0.1896
 Gamma2 Fr= 1--      1.8365                 0.5199                 0.1931
 Delta2 Fr= 1--      0.5208                 0.2079                -0.2039
 Raman1 Fr= 1--     352.124                284.919                545.691
 ROA1   Fr= 1--     192.971                 56.561                 12.008
 CID1   Fr= 1--       0.548                  0.199                  0.022
 Raman2 Fr= 1--     133.192                 87.924                 93.367
 ROA2   Fr= 1--      39.911                 10.814                  6.265
 CID2   Fr= 1--       0.300                  0.123                  0.067
 Raman3 Fr= 1--     266.384                175.849                186.734
 ROA3   Fr= 1--     192.971                 56.561                 12.008
 CID3   Fr= 1--       0.724                  0.322                  0.064
 RC180  Fr= 1--       0.513                  0.234                 -0.316
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.04  -0.06   0.01     0.00  -0.00   0.00     0.03  -0.04   0.01
     6   6     0.02   0.04  -0.01    -0.00  -0.00   0.00    -0.03  -0.06   0.02
     7   6     0.00   0.00  -0.00    -0.03  -0.08   0.02    -0.00  -0.00   0.00
     8   1    -0.00  -0.01   0.00     0.04   0.08  -0.02    -0.01  -0.03   0.01
     9   1    -0.51   0.65  -0.13    -0.00   0.01  -0.00    -0.33   0.41  -0.08
    10   1    -0.20  -0.49   0.13     0.00   0.01  -0.00     0.30   0.73  -0.20
    11   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   1    -0.01   0.01  -0.01     0.00   0.00  -0.00    -0.00   0.01  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   1    -0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00
    22   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.02  -0.00
    24   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.00  -0.00   0.00     0.36   0.87  -0.23     0.00   0.00  -0.00
    27   1    -0.00   0.00  -0.00     0.11  -0.15   0.03    -0.00   0.00  -0.00
    28   1     0.01   0.03  -0.01     0.02   0.05  -0.01    -0.08  -0.18   0.05
    29   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.00  -0.00   0.00
    31   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3188.4167              3216.8358              3716.2858
 Red. masses --      1.0904                 1.0912                 1.0650
 Frc consts  --      6.5312                 6.6528                 8.6661
 IR Inten    --      6.2467                 6.3038               131.3129
 RamAct Fr= 1--    170.1400               134.2120               222.9955
  Dep-P Fr= 1--      0.2501                 0.2470                 0.2230
  Dep-U Fr= 1--      0.4001                 0.3962                 0.3647
 Alpha2 Fr= 1--      2.0160                 1.6039                 2.8471
 Beta2  Fr= 1--     11.3460                 8.8627                13.5537
 AlphaG Fr= 1--     -0.0118                 0.0014                -3.4586
 Gamma2 Fr= 1--     -0.4969                -0.3239               -47.4743
 Delta2 Fr= 1--     -0.1922                 0.2847                 2.7915
 Raman1 Fr= 1--     680.560                536.848                891.982
 ROA1   Fr= 1--     -53.853                -21.981              -4468.206
 CID1   Fr= 1--      -0.079                 -0.041                 -5.009
 Raman2 Fr= 1--     136.152                106.352                162.644
 ROA2   Fr= 1--     -10.388                -10.050              -1161.715
 CID2   Fr= 1--      -0.076                 -0.094                 -7.143
 Raman3 Fr= 1--     272.304                212.704                325.289
 ROA3   Fr= 1--     -53.853                -21.981              -4468.206
 CID3   Fr= 1--      -0.198                 -0.103                -13.736
 RC180  Fr= 1--      -0.200                 -0.208                 -0.271
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.01  -0.02   0.00    -0.00   0.00  -0.00
     8   1    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   1    -0.05   0.06  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   1     0.07   0.17  -0.04    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.05  -0.03   0.01
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.84   0.54  -0.09
    21   6     0.00   0.00  -0.00     0.05  -0.07   0.01     0.00   0.00  -0.00
    22   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    23   6    -0.03  -0.08   0.02    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    25   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1    -0.02  -0.05   0.01     0.07   0.17  -0.04    -0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00    -0.59   0.76  -0.15     0.00  -0.00   0.00
    28   1     0.38   0.87  -0.23     0.00   0.01  -0.00     0.00   0.00  -0.00
    29   1    -0.00   0.00   0.00     0.01   0.01   0.01    -0.00  -0.00  -0.00
    30   1    -0.00   0.00  -0.00     0.00   0.01  -0.02    -0.00  -0.00   0.00
    31   1    -0.00  -0.00   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1382.138778633.188329145.70260
           X            0.99986  -0.01492  -0.00738
           Y            0.01467   0.99936  -0.03277
           Z            0.00787   0.03265   0.99944
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06267     0.01003     0.00947
 Rotational constants (GHZ):           1.30576     0.20905     0.19733
 Zero-point vibrational energy     657434.9 (Joules/Mol)
                                  157.13071 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     31.25    48.57    62.41   109.73   163.21
          (Kelvin)            199.80   265.42   292.02   316.06   334.56
                              363.80   401.31   445.17   546.65   583.61
                              595.53   600.05   695.88   696.48   745.44
                              769.68   808.83   839.14   863.96   906.96
                              992.85  1003.39  1061.31  1118.56  1127.49
                             1180.22  1188.12  1204.31  1232.64  1289.89
                             1327.76  1347.80  1372.54  1391.91  1409.80
                             1480.64  1538.72  1569.12  1581.18  1678.75
                             1686.99  1691.64  1699.80  1711.18  1727.27
                             1733.98  1805.93  1867.04  1867.64  1880.40
                             1907.26  1923.06  1994.74  2019.82  2029.17
                             2036.32  2095.44  2129.66  2146.93  2152.92
                             2153.04  2167.60  2194.89  2225.60  2312.20
                             2376.39  2410.94  2641.02  4332.45  4335.31
                             4388.76  4414.76  4480.36  4507.29  4514.24
                             4540.78  4550.47  4566.77  4577.29  4587.42
                             4628.31  5346.91
 
 Zero-point correction=                           0.250404 (Hartree/Particle)
 Thermal correction to Energy=                    0.265717
 Thermal correction to Enthalpy=                  0.266662
 Thermal correction to Gibbs Free Energy=         0.206220
 Sum of electronic and zero-point Energies=           -767.719664
 Sum of electronic and thermal Energies=              -767.704351
 Sum of electronic and thermal Enthalpies=            -767.703406
 Sum of electronic and thermal Free Energies=         -767.763848
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.740             58.780            127.210
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.056
 Vibrational            164.963             52.818             51.952
 Vibration     1          0.593              1.985              6.470
 Vibration     2          0.594              1.983              5.595
 Vibration     3          0.595              1.980              5.098
 Vibration     4          0.599              1.965              3.985
 Vibration     5          0.607              1.938              3.209
 Vibration     6          0.614              1.914              2.819
 Vibration     7          0.631              1.861              2.283
 Vibration     8          0.639              1.836              2.106
 Vibration     9          0.647              1.811              1.962
 Vibration    10          0.653              1.791              1.859
 Vibration    11          0.664              1.758              1.711
 Vibration    12          0.679              1.713              1.540
 Vibration    13          0.699              1.656              1.365
 Vibration    14          0.750              1.513              1.039
 Vibration    15          0.771              1.458              0.942
 Vibration    16          0.778              1.440              0.913
 Vibration    17          0.780              1.433              0.902
 Vibration    18          0.840              1.286              0.700
 Vibration    19          0.840              1.285              0.699
 Vibration    20          0.873              1.210              0.614
 Vibration    21          0.890              1.173              0.576
 Vibration    22          0.918              1.113              0.520
 Vibration    23          0.940              1.068              0.479
 Vibration    24          0.959              1.031              0.449
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.139773D-94        -94.854577       -218.410734
 Total V=0       0.210398D+21         20.323042         46.795534
 Vib (Bot)       0.272455-109       -109.564705       -252.282056
 Vib (Bot)    1  0.953540D+01          0.979339          2.255011
 Vib (Bot)    2  0.613220D+01          0.787616          1.813553
 Vib (Bot)    3  0.476832D+01          0.678365          1.561994
 Vib (Bot)    4  0.270192D+01          0.431673          0.993963
 Vib (Bot)    5  0.180417D+01          0.256277          0.590100
 Vib (Bot)    6  0.146471D+01          0.165753          0.381661
 Vib (Bot)    7  0.108707D+01          0.036258          0.083488
 Vib (Bot)    8  0.981278D+00         -0.008208         -0.018900
 Vib (Bot)    9  0.900564D+00         -0.045485         -0.104734
 Vib (Bot)   10  0.846091D+00         -0.072583         -0.167129
 Vib (Bot)   11  0.770830D+00         -0.113041         -0.260287
 Vib (Bot)   12  0.689694D+00         -0.161344         -0.371508
 Vib (Bot)   13  0.611344D+00         -0.213714         -0.492095
 Vib (Bot)   14  0.475896D+00         -0.322488         -0.742557
 Vib (Bot)   15  0.437592D+00         -0.358931         -0.826469
 Vib (Bot)   16  0.426178D+00         -0.370409         -0.852899
 Vib (Bot)   17  0.421965D+00         -0.374724         -0.862833
 Vib (Bot)   18  0.344703D+00         -0.462555         -1.065072
 Vib (Bot)   19  0.344285D+00         -0.463082         -1.066286
 Vib (Bot)   20  0.312088D+00         -0.505723         -1.164470
 Vib (Bot)   21  0.297577D+00         -0.526401         -1.212084
 Vib (Bot)   22  0.275889D+00         -0.559265         -1.287755
 Vib (Bot)   23  0.260427D+00         -0.584314         -1.345434
 Vib (Bot)   24  0.248541D+00         -0.604601         -1.392146
 Vib (V=0)       0.410123D+06          5.612914         12.924212
 Vib (V=0)    1  0.100485D+02          1.002101          2.307423
 Vib (V=0)    2  0.665255D+01          0.822988          1.895000
 Vib (V=0)    3  0.529446D+01          0.723822          1.666661
 Vib (V=0)    4  0.324780D+01          0.511589          1.177977
 Vib (V=0)    5  0.237217D+01          0.375146          0.863806
 Vib (V=0)    6  0.204770D+01          0.311267          0.716719
 Vib (V=0)    7  0.169655D+01          0.229566          0.528595
 Vib (V=0)    8  0.160132D+01          0.204478          0.470828
 Vib (V=0)    9  0.153006D+01          0.184707          0.425304
 Vib (V=0)   10  0.148279D+01          0.171079          0.393923
 Vib (V=0)   11  0.141879D+01          0.151919          0.349806
 Vib (V=0)   12  0.135187D+01          0.130934          0.301487
 Vib (V=0)   13  0.128977D+01          0.110513          0.254466
 Vib (V=0)   14  0.119027D+01          0.075647          0.174183
 Vib (V=0)   15  0.116444D+01          0.066119          0.152244
 Vib (V=0)   16  0.115698D+01          0.063327          0.145816
 Vib (V=0)   17  0.115426D+01          0.062303          0.143458
 Vib (V=0)   18  0.110731D+01          0.044267          0.101930
 Vib (V=0)   19  0.110707D+01          0.044174          0.101715
 Vib (V=0)   20  0.108941D+01          0.037190          0.085632
 Vib (V=0)   21  0.108185D+01          0.034168          0.078674
 Vib (V=0)   22  0.107106D+01          0.029816          0.068653
 Vib (V=0)   23  0.106376D+01          0.026842          0.061807
 Vib (V=0)   24  0.105837D+01          0.024636          0.056726
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.373952D+07          6.572816         15.134467
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3            3333333333333                             111111111111111111111111111111111                                        
     7            2111111110000                             866655544444444333322222111110000999998888877766665555444443322222111    
     1            1887653316511                             3750420999851108320995008877699628653295322873993086318811080753208317432
     6            7814368348031                             6627767662065046767885519163791990747377760478700032584474609933034936342
 
     X            XXXXXXXXXXXXX                             XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X                     X  X                             XXX XXX         X X XX  X X    X      X           X  X                   
     X                        X                             XXX X           X X XX  X X    X                                         
     X                                                      XXX X           X X XX    X                                              
     X                                                      X               X X X                                                    
     X                                                      X               X X X                                                    
     X                                                      X               X X X                                                    
                                                            X                 X X                                                    
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001794   -0.000000985    0.000000243
      2        6           0.000002109   -0.000001420    0.000000115
      3        6          -0.000002264   -0.000001078    0.000000118
      4        6           0.000000100    0.000001040    0.000001378
      5        6           0.000001357    0.000000498   -0.000000323
      6        6          -0.000001937    0.000000896   -0.000000518
      7        6          -0.000002351    0.000000313    0.000000201
      8        1           0.000000290    0.000000696    0.000000174
      9        1           0.000000226   -0.000000047   -0.000000068
     10        1           0.000000516   -0.000000305   -0.000000097
     11        6           0.000002790    0.000001082   -0.000002405
     12        6           0.000002238    0.000000670    0.000001504
     13        6          -0.000010757   -0.000003045    0.000009697
     14        1           0.000000020    0.000000448   -0.000000071
     15        1          -0.000000449   -0.000000003   -0.000000083
     16        1          -0.000000169    0.000000520    0.000000081
     17        1          -0.000000550    0.000000615    0.000000133
     18        8           0.000006505    0.000003850   -0.000003189
     19        8           0.000001760   -0.000001745   -0.000007030
     20        1           0.000000842    0.000000284    0.000000411
     21        6          -0.000000446    0.000002132   -0.000000821
     22        6           0.000006738   -0.000003367    0.000000763
     23        6          -0.000003416    0.000002209    0.000000172
     24        8          -0.000006440    0.000003526   -0.000002390
     25        6           0.000002905   -0.000006946    0.000002879
     26        1           0.000000250   -0.000000069    0.000000080
     27        1          -0.000000246   -0.000000864    0.000000319
     28        1           0.000000355   -0.000000411   -0.000000191
     29        1          -0.000000298    0.000000484   -0.000000222
     30        1          -0.000000509    0.000000478   -0.000000815
     31        1          -0.000000964    0.000000546   -0.000000044
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000010757 RMS     0.000002558
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.314439D+03 -0.194908D+02 -0.812807D+01
      2  -0.194908D+02  0.181784D+03 -0.116289D+02
      3  -0.812807D+01 -0.116289D+02  0.125076D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.650602D+01  0.207238D+02 -0.254508D+01
      2  -0.715232D+00 -0.169370D+02 -0.284825D+02
      3   0.143504D+03 -0.586668D+02  0.211055D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.399480D+03 -0.200667D+03  0.203337D+02
      2  -0.196243D+03  0.156510D+03 -0.526852D+02
      3  -0.203237D+03  0.441566D+02  0.323515D+02
      4  -0.126415D+03  0.109391D+03 -0.475704D+02
      5   0.841022D+02 -0.575604D+02 -0.560722D+02
      6  -0.203021D+02  0.143697D+02 -0.505398D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.442793D+02  0.131322D+02 -0.914802D+00 -0.373446D+02  0.693640D+01
      2   0.131322D+02 -0.788102D+01  0.106872D+01  0.693640D+01 -0.570642D+01
      3  -0.914802D+00  0.106872D+01 -0.181770D-01  0.223869D+00  0.843187D+00
                 6             7             8             9            10 
      1   0.223869D+00  0.123643D+02 -0.289266D+01 -0.104728D+01  0.420494D+02
      2   0.843187D+00 -0.289266D+01  0.151019D+01 -0.112676D+01 -0.141022D+02
      3   0.163923D+00 -0.104728D+01 -0.112676D+01  0.630037D+00  0.104219D+01
                11            12            13            14            15 
      1  -0.141022D+02  0.104219D+01  0.402994D+02 -0.757661D+01 -0.200936D+00
      2   0.452541D+01 -0.254359D+00 -0.757661D+01  0.776123D+01 -0.130475D+01
      3  -0.254359D+00 -0.170648D+00 -0.200936D+00 -0.130475D+01 -0.165328D+00
                16            17            18            19            20 
      1  -0.125254D+02  0.293509D+01  0.810627D+00  0.468074D+02 -0.133104D+02
      2   0.293509D+01 -0.169623D+01  0.124710D+01 -0.133104D+02  0.115361D+02
      3   0.810627D+00  0.124710D+01 -0.367567D+00  0.113360D+01 -0.209711D+01
                21            22            23            24            25 
      1   0.113360D+01 -0.263385D+02  0.490271D+01 -0.616194D+00  0.475120D+01
      2  -0.209711D+01  0.490271D+01 -0.840442D+01  0.424276D+00 -0.988989D+00
      3   0.600863D+00 -0.616194D+00  0.424276D+00 -0.188686D+01 -0.677288D+00
                26            27            28            29            30 
      1  -0.988989D+00 -0.677288D+00 -0.572860D+02  0.760741D+01  0.492413D+00
      2  -0.252960D+00 -0.304051D+01  0.760741D+01 -0.542609D+01  0.125185D+00
      3  -0.304051D+01  0.222089D+01  0.492413D+00  0.125185D+00 -0.234674D+01
                31            32            33            34            35 
      1   0.901000D+01 -0.417974D+01 -0.793482D+00 -0.448013D+01 -0.448797D+00
      2  -0.417974D+01  0.175741D+02 -0.382369D+01 -0.448797D+00 -0.311716D+01
      3  -0.793482D+00 -0.382369D+01  0.686194D+00 -0.687215D+01  0.170311D+01
                36            37            38            39            40 
      1  -0.687215D+01  0.436065D+00 -0.200264D+01  0.414206D+00  0.147626D+02
      2   0.170311D+01 -0.200264D+01 -0.154565D+02  0.341139D+01 -0.160724D+01
      3   0.190284D+00  0.414206D+00  0.341139D+01 -0.318217D+01 -0.116630D+01
                41            42            43            44            45 
      1  -0.160724D+01 -0.116630D+01 -0.403984D+01 -0.864396D+00 -0.544216D+01
      2  -0.625890D+01  0.280137D+01 -0.864396D+00  0.391652D+01  0.220237D+01
      3   0.280137D+01  0.104126D+01 -0.544216D+01  0.220237D+01 -0.843752D+00
                46            47            48            49            50 
      1   0.562317D+01  0.202118D+01 -0.632508D+00  0.275483D+01 -0.490256D+01
      2   0.202118D+01  0.107430D+02 -0.184365D+01 -0.490256D+01  0.167371D+01
      3  -0.632508D+00 -0.184365D+01  0.251082D+01  0.134074D+01  0.149032D+01
                51            52            53            54            55 
      1   0.134074D+01 -0.571179D+00  0.135673D+01  0.590979D+00 -0.265369D+01
      2   0.149032D+01  0.135673D+01  0.131693D+01  0.427287D+01 -0.289311D+01
      3   0.100879D+01  0.590979D+00  0.427287D+01 -0.282449D+01  0.702857D+00
                56            57            58            59            60 
      1  -0.289311D+01  0.702857D+00 -0.269345D+01  0.448095D+01 -0.124778D+01
      2  -0.590654D+01  0.800519D+00  0.448095D+01 -0.322545D+01 -0.869240D+00
      3   0.800519D+00 -0.257594D+01 -0.124778D+01 -0.869240D+00 -0.929929D+00
                61            62            63            64            65 
      1   0.596082D+00 -0.136255D+01 -0.262000D+00 -0.157503D+01 -0.222951D+01
      2  -0.136255D+01 -0.858086D+00 -0.384816D+01 -0.222951D+01 -0.111450D+01
      3  -0.262000D+00 -0.384816D+01  0.268340D+01  0.595854D+00  0.306883D+00
                66            67            68            69            70 
      1   0.595854D+00 -0.286069D+01 -0.289119D+01  0.875964D+00  0.963230D+00
      2   0.306883D+00 -0.289119D+01 -0.529375D+01  0.132123D+01  0.893640D+00
      3  -0.350027D+00  0.875964D+00  0.132123D+01 -0.101620D+01 -0.280497D+00
                71            72            73            74            75 
      1   0.893640D+00 -0.280497D+00 -0.566619D+01  0.367933D+01 -0.496279D+00
      2   0.131522D+01 -0.464871D+00  0.367933D+01 -0.370463D+01  0.607062D+00
      3  -0.464871D+00  0.356277D+00 -0.496279D+00  0.607062D+00 -0.406629D+00
                76            77            78            79            80 
      1   0.409414D+01 -0.485379D+01  0.102340D+01 -0.631987D+00  0.109697D+01
      2  -0.485379D+01  0.670577D+01 -0.107551D+01  0.109697D+01 -0.126272D+01
      3   0.102340D+01 -0.107551D+01  0.797657D+00  0.300525D+00  0.437692D+00
                81            82            83            84            85 
      1   0.300525D+00  0.108544D+01  0.194611D+01 -0.522494D+00  0.793276D+00
      2   0.437692D+00  0.194611D+01  0.290575D+01 -0.764872D+00  0.197010D+01
      3  -0.314811D+00 -0.522494D+00 -0.764872D+00  0.396819D+00 -0.442375D+00
                86            87            88            89            90 
      1   0.197010D+01 -0.442375D+00 -0.207150D+00 -0.501104D+00  0.209639D+00
      2   0.101083D+02 -0.235628D+01 -0.501104D+00 -0.270532D+01  0.606149D+00
      3  -0.235628D+01  0.133948D+01  0.209639D+00  0.606149D+00 -0.367340D+00
                91            92            93            94            95 
      1   0.198235D+02 -0.220658D+01  0.114347D+00  0.710367D+01  0.122254D+01
      2  -0.220658D+01  0.182319D+01  0.826393D+00  0.122254D+01 -0.231609D+01
      3   0.114347D+00  0.826393D+00  0.304818D+01  0.781339D+00  0.245814D+01
                96            97            98            99           100 
      1   0.781339D+00 -0.434420D+01  0.190966D+01  0.884469D+01  0.101611D+02
      2   0.245814D+01  0.190966D+01  0.192278D+01 -0.235886D+00  0.260065D+00
      3   0.111681D+01  0.884469D+01 -0.235886D+00 -0.225848D+01 -0.240385D+01
               101           102           103           104           105 
      1   0.260065D+00 -0.240385D+01 -0.965092D+00 -0.195408D+01 -0.324636D+00
      2  -0.179989D+01 -0.397431D+00 -0.195408D+01 -0.923272D-01 -0.387242D+01
      3  -0.397431D+00 -0.222194D+01 -0.324636D+00 -0.387242D+01 -0.879820D+00
               106           107           108           109           110 
      1   0.745618D+01 -0.104217D+01 -0.587022D+01  0.553813D+01  0.410884D+01
      2  -0.104217D+01 -0.241171D+01 -0.120548D+00  0.410884D+01  0.163930D+01
      3  -0.587022D+01 -0.120548D+00  0.345669D+01 -0.152454D+01 -0.703346D+00
               111           112           113           114           115 
      1  -0.152454D+01  0.228284D+00  0.174549D+01 -0.138548D+01 -0.990479D+01
      2  -0.703346D+00  0.174549D+01  0.386868D+00 -0.124328D+01 -0.243890D+01
      3  -0.134126D+01 -0.138548D+01 -0.124328D+01 -0.643603D+00 -0.421603D+01
               116           117           118           119           120 
      1  -0.243890D+01 -0.421603D+01 -0.143530D+01  0.239883D+01 -0.885861D+00
      2  -0.220637D+01 -0.137355D+00  0.239883D+01 -0.199763D+01  0.125100D+00
      3  -0.137355D+00  0.446303D+00 -0.885861D+00  0.125100D+00 -0.131978D+01
               121           122           123           124           125 
      1   0.475820D+01 -0.229798D+01  0.254847D+00 -0.155967D+01  0.208908D+00
      2  -0.229798D+01  0.516603D+01 -0.121496D+01  0.208908D+00 -0.152320D+01
      3   0.254847D+00 -0.121496D+01  0.139313D+01 -0.164174D+01  0.113451D+01
               126           127           128           129           130 
      1  -0.164174D+01  0.412678D+00 -0.654029D+00  0.218791D+00 -0.194150D+01
      2   0.113451D+01 -0.654029D+00  0.911151D+00 -0.421535D+00  0.234299D+00
      3  -0.636320D+00  0.218791D+00 -0.421535D+00  0.162998D+01  0.384783D+00
               131           132           133           134           135 
      1   0.234299D+00  0.384783D+00  0.385942D+00 -0.362867D-01  0.321889D+00
      2  -0.329346D+01  0.221320D+01 -0.362867D-01  0.169320D+01 -0.131051D+01
      3   0.221320D+01 -0.275511D+01  0.321889D+00 -0.131051D+01  0.223281D+01
               136           137           138           139           140 
      1  -0.172098D+02  0.244594D+00  0.435908D+01 -0.714290D+00 -0.116495D+01
      2   0.244594D+00 -0.794981D+00 -0.259751D+00 -0.116495D+01 -0.763970D-01
      3   0.435908D+01 -0.259751D+00 -0.261889D+01  0.212594D-01  0.701655D+00
               141           142           143           144           145 
      1   0.212594D-01  0.146578D+01  0.175703D+00 -0.135976D+01 -0.518196D+00
      2   0.701655D+00  0.175703D+00  0.761686D-01 -0.437207D-01  0.801242D+00
      3  -0.144158D+00 -0.135976D+01 -0.437207D-01  0.475398D+00  0.676800D+00
               146           147           148           149           150 
      1   0.801242D+00  0.676800D+00  0.132219D+01  0.321063D-01 -0.420042D+00
      2   0.987309D+00  0.723100D+00  0.321063D-01  0.392956D+01  0.316329D+01
      3   0.723100D+00  0.158253D+01 -0.420042D+00  0.316329D+01  0.366102D+01
               151           152           153           154           155 
      1  -0.423598D-01 -0.382906D-01  0.109263D+00 -0.163600D+02 -0.533931D+01
      2  -0.382906D-01  0.219289D+01  0.230317D+01 -0.533931D+01 -0.299598D+01
      3   0.109263D+00  0.230317D+01  0.370788D+01  0.938077D+00 -0.197879D+00
               156           157           158           159           160 
      1   0.938077D+00 -0.878244D+01 -0.610115D+01  0.692922D+00  0.181701D+01
      2  -0.197879D+00 -0.610115D+01 -0.502057D+01  0.639978D+00  0.893109D+00
      3  -0.214941D+01  0.692922D+00  0.639978D+00 -0.125122D+01 -0.211282D+01
               161           162           163           164           165 
      1   0.893109D+00 -0.211282D+01 -0.125893D+02 -0.378431D+01 -0.302644D+01
      2   0.141636D+01 -0.121379D+01 -0.378431D+01 -0.625221D+00  0.108675D-01
      3  -0.121379D+01  0.174516D+01 -0.302644D+01  0.108675D-01 -0.113147D+01
               166           167           168           169           170 
      1  -0.821209D+01 -0.155812D+01 -0.120172D+01  0.233177D+01  0.508647D+00
      2  -0.155812D+01 -0.129951D+01 -0.181188D+01  0.508647D+00 -0.117780D+00
      3  -0.120172D+01 -0.181188D+01 -0.243479D+01 -0.646511D+00 -0.150893D+01
               171           172           173           174           175 
      1  -0.646511D+00  0.100941D+02  0.308931D+01  0.107464D+01  0.920950D+01
      2  -0.150893D+01  0.308931D+01  0.975890D+00  0.580227D+00  0.160992D+01
      3  -0.683148D+01  0.107464D+01  0.580227D+00  0.272557D+01  0.154984D+01
               176           177           178           179           180 
      1   0.160992D+01  0.154984D+01  0.394555D+01  0.688912D+00  0.173161D+01
      2   0.624375D+00 -0.426266D+00  0.688912D+00 -0.107634D+01  0.698740D+00
      3  -0.426266D+00  0.176500D+01  0.173161D+01  0.698740D+00 -0.171758D+01
               181           182           183           184           185 
      1   0.342020D+01  0.162923D+01 -0.226578D+00 -0.164167D+02  0.441809D+01
      2   0.162923D+01  0.111097D+02 -0.247402D+01  0.441809D+01  0.242445D+01
      3  -0.226578D+00 -0.247402D+01  0.310770D+01  0.737381D+00 -0.211125D+01
               186           187           188           189           190 
      1   0.737381D+00  0.415636D+01 -0.376759D+00  0.392149D+01  0.375262D+02
      2  -0.211125D+01 -0.376759D+00 -0.292362D+01 -0.245453D+01 -0.898923D+01
      3  -0.129812D+01  0.392149D+01 -0.245453D+01  0.108809D+01  0.749948D+00
               191           192           193           194           195 
      1  -0.898923D+01  0.749948D+00 -0.426105D+01  0.384872D+01  0.111067D+01
      2   0.106044D+02 -0.115314D+01  0.384872D+01 -0.143037D+02  0.295679D+01
      3  -0.115314D+01  0.428906D+01  0.111067D+01  0.295679D+01 -0.769150D+00
               196           197           198           199           200 
      1  -0.387954D+00  0.135232D+01  0.718289D+01 -0.384698D+02  0.145026D+02
      2   0.135232D+01  0.208669D+01 -0.209315D+01  0.145026D+02 -0.980973D+01
      3   0.718289D+01 -0.209315D+01 -0.229749D+00 -0.126481D+01  0.183821D+01
               201           202           203           204           205 
      1  -0.126481D+01  0.211014D+02 -0.691382D+01  0.853723D+00 -0.248049D+01
      2   0.183821D+01 -0.691382D+01  0.876489D+01  0.268467D-01  0.134293D+01
      3  -0.549319D+00  0.853723D+00  0.268467D-01  0.225285D+01  0.809225D+00
               206           207           208           209           210 
      1   0.134293D+01  0.809225D+00 -0.789117D+01  0.547356D+01 -0.890696D+00
      2   0.768560D+00  0.424516D+01  0.547356D+01 -0.517774D+01  0.870238D+00
      3   0.424516D+01 -0.295363D+01 -0.890696D+00  0.870238D+00 -0.602723D+00
               211           212           213           214           215 
      1  -0.214300D+01  0.368739D+01 -0.879147D+00  0.103387D+01 -0.120783D+01
      2   0.368739D+01  0.606691D+00 -0.524984D+00 -0.120783D+01  0.528125D+00
      3  -0.879147D+00 -0.524984D+00 -0.123342D+01  0.199167D+00  0.743592D+00
               216           217           218           219           220 
      1   0.199167D+00  0.817477D+00 -0.527876D+01  0.108654D+01 -0.313741D+01
      2   0.743592D+00 -0.527876D+01  0.268128D+01  0.749484D-01 -0.201069D+01
      3  -0.602756D-02  0.108654D+01  0.749484D-01  0.903781D-01  0.459107D+00
               221           222           223           224           225 
      1  -0.201069D+01  0.459107D+00  0.355045D+00  0.499127D+00 -0.299391D+01
      2   0.255420D+01  0.231339D+01  0.499127D+00  0.171560D+01  0.436049D+01
      3   0.231339D+01  0.564086D+01 -0.299391D+01  0.436049D+01 -0.354641D+01
               226           227           228           229           230 
      1  -0.594548D+00 -0.171396D+01  0.460305D+00 -0.377028D+00 -0.132684D+01
      2  -0.171396D+01 -0.248551D+01  0.676303D+00 -0.132684D+01 -0.876132D+01
      3   0.460305D+00  0.676303D+00 -0.356295D+00  0.327559D+00  0.204574D+01
               231           232           233           234           235 
      1   0.327559D+00  0.168542D+00  0.458413D+00 -0.113865D-01  0.592558D+01
      2   0.204574D+01  0.458413D+00  0.226823D+01 -0.560358D+00 -0.320352D+01
      3  -0.124039D+01 -0.113865D-01 -0.560358D+00  0.357065D+00  0.388725D+00
               236           237           238           239           240 
      1  -0.320352D+01  0.388725D+00 -0.469528D+01  0.460791D+01 -0.985798D+00
      2   0.277860D+01 -0.443548D+00  0.460791D+01 -0.565441D+01  0.971582D+00
      3  -0.443548D+00  0.250917D+00 -0.985798D+00  0.971582D+00 -0.650903D+00
               241           242           243           244           245 
      1   0.699869D+00 -0.102593D+01 -0.313603D+00  0.208139D+01  0.293803D+01
      2  -0.102593D+01  0.118416D+01 -0.203080D+00  0.293803D+01  0.227824D+01
      3  -0.313603D+00 -0.203080D+00  0.212855D+00 -0.808182D+00 -0.635584D+00
               246           247           248           249           250 
      1  -0.808182D+00  0.362358D+01  0.376521D+01 -0.103189D+01 -0.984649D+00
      2  -0.635584D+00  0.376521D+01  0.712411D+01 -0.176126D+01 -0.105950D+01
      3   0.575854D+00 -0.103189D+01 -0.176126D+01  0.122936D+01  0.476408D+00
               251           252           253           254           255 
      1  -0.105950D+01  0.476408D+00 -0.783556D+00  0.544063D-01 -0.798770D+00
      2  -0.185654D+01  0.473811D+00  0.544063D-01 -0.689374D+00 -0.547122D-01
      3   0.473811D+00 -0.366383D+00 -0.798770D+00 -0.547122D-01 -0.557688D+00
               256           257           258           259           260 
      1  -0.268561D+01  0.287506D+01  0.158469D+01 -0.371650D+01  0.197816D+01
      2   0.287506D+01 -0.512213D+01 -0.304161D+01  0.197816D+01 -0.320427D+01
      3   0.158469D+01 -0.304161D+01 -0.283820D+01  0.238981D+01 -0.310554D+01
               261           262           263           264           265 
      1   0.238981D+01  0.540694D-01  0.228957D+00  0.113701D+01 -0.887042D+00
      2  -0.310554D+01  0.228957D+00 -0.474566D+00 -0.276708D+00  0.147759D+01
      3  -0.313971D+01  0.113701D+01 -0.276708D+00 -0.420085D-01 -0.123031D+01
               266           267           268           269           270 
      1   0.147759D+01 -0.123031D+01  0.547658D+01 -0.192141D+01  0.406153D+01
      2  -0.169830D+01  0.144304D+01 -0.192141D+01  0.175280D+01 -0.278216D+01
      3   0.144304D+01 -0.228784D+01  0.406153D+01 -0.278216D+01  0.683148D+01
               271           272           273           274           275 
      1   0.154560D+02  0.159172D+01 -0.118956D+01  0.539466D+01  0.152426D+01
      2   0.159172D+01  0.840566D+00 -0.675044D-01  0.152426D+01  0.112289D+01
      3  -0.118956D+01 -0.675044D-01  0.113245D+01 -0.295999D+00 -0.376641D+00
               276           277           278           279 
      1  -0.295999D+00 -0.209102D+01 -0.927347D-01  0.178760D+01
      2  -0.376641D+00 -0.927347D-01 -0.452129D+00 -0.178904D+00
      3   0.328706D+00  0.178760D+01 -0.178904D+00 -0.230896D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.211363D+01  0.278197D+01 -0.505268D+00  0.215730D+01 -0.976387D+00
      2   0.190678D+01  0.104002D+02 -0.124246D+01  0.686211D+01 -0.750957D+01
      3  -0.235433D+02  0.471886D+02 -0.107687D+02  0.222101D+02 -0.314944D+02
                 6             7             8             9            10 
      1   0.673393D-01 -0.523706D+01  0.774618D+01 -0.172686D+01 -0.472803D+00
      2   0.212101D+01 -0.215097D+02  0.461581D+01 -0.199827D+00 -0.248221D+01
      3   0.647818D+01  0.177887D+01  0.328753D+01 -0.583834D+00  0.316524D+02
                11            12            13            14            15 
      1   0.346782D+01 -0.124267D+01  0.104637D-01  0.729800D+00  0.879992D+00
      2   0.103388D+02 -0.771697D+01  0.634475D+01 -0.677997D+01  0.935586D+00
      3   0.378571D+02 -0.976226D+01  0.764972D+02 -0.350966D+02  0.423121D+01
                16            17            18            19            20 
      1  -0.598690D+01  0.663095D+01 -0.169403D+01 -0.296840D+01 -0.104172D+01
      2  -0.245590D+02  0.439794D+01  0.710001D+00 -0.481877D+01 -0.876382D+01
      3  -0.145796D+02  0.461190D+01 -0.778510D+00  0.236520D+02 -0.442974D+02
                21            22            23            24            25 
      1   0.111661D+00 -0.127547D+01 -0.653408D-01 -0.148662D+01 -0.676284D+01
      2   0.110488D+01 -0.190705D+01  0.290173D+01  0.118041D+01 -0.194293D+02
      3   0.102023D+02 -0.132808D+02  0.587900D+01 -0.246701D+01  0.912549D+01
                26            27            28            29            30 
      1   0.322505D+01 -0.117483D+01 -0.117067D+01  0.179874D+01  0.888890D+00
      2   0.838025D+01 -0.193882D+01  0.282882D+00  0.395701D+01  0.917209D+00
      3  -0.243434D+01 -0.119467D+01 -0.477271D+02  0.162597D+02 -0.225272D+01
                31            32            33            34            35 
      1   0.617460D+01  0.551746D+01  0.550687D+00  0.406745D+01  0.145348D+02
      2   0.390700D+01 -0.117127D+01  0.148984D+00 -0.162075D+02  0.150517D+01
      3   0.381233D+02 -0.113668D+02 -0.123595D+00 -0.415514D+01 -0.143044D+01
                36            37            38            39            40 
      1  -0.323566D+01 -0.360278D+00  0.921619D+00  0.788505D+01  0.263666D+01
      2   0.482048D+00 -0.566872D+01  0.108902D+01  0.165825D+01 -0.284000D+01
      3  -0.399048D+01 -0.178826D+02  0.452279D+01 -0.153341D+01  0.117481D+02
                41            42            43            44            45 
      1  -0.580809D+00 -0.222512D+01  0.185350D+02  0.438812D+01 -0.174354D+01
      2  -0.389041D+01 -0.160636D+01 -0.668509D+01 -0.786352D+01  0.222224D+01
      3  -0.204996D+01 -0.964027D+00 -0.488559D+01  0.178913D+00 -0.757077D+01
                46            47            48            49            50 
      1   0.304699D+00 -0.320054D+01 -0.690060D+01 -0.290179D+01 -0.490826D+00
      2   0.862940D+01 -0.777979D+01  0.197989D+01 -0.749855D+01  0.799149D+01
      3   0.382137D+02 -0.323120D+02  0.652986D+01 -0.102405D+02  0.287879D+02
                51            52            53            54            55 
      1  -0.345535D+01 -0.862185D+01 -0.551367D+01  0.448949D+01  0.103892D+01
      2  -0.150452D+01 -0.158266D+02 -0.107702D+01  0.245063D+01  0.740513D+01
      3  -0.491571D+01  0.501826D+01 -0.361064D+01  0.573511D+01  0.394333D+02
                56            57            58            59            60 
      1  -0.460100D+01 -0.499080D+01 -0.144454D+01  0.573805D+00 -0.244139D+01
      2  -0.986559D+01 -0.444461D+01 -0.733246D+01  0.724931D+01 -0.248710D+01
      3  -0.354332D+02  0.905115D+01 -0.868689D+01  0.371603D+02 -0.544082D+01
                61            62            63            64            65 
      1  -0.730515D+01 -0.289779D+01  0.232215D+01 -0.296157D+00 -0.532188D+00
      2  -0.224859D+02 -0.322125D+01  0.611554D+01  0.792174D+00  0.713816D+00
      3   0.678677D+01 -0.334263D+01  0.112445D+02  0.795697D+00 -0.215284D+00
                66            67            68            69            70 
      1  -0.127339D+01 -0.832152D+00 -0.163528D+01 -0.282635D+01 -0.702180D+00
      2   0.308561D+00  0.980158D+00 -0.508561D+00  0.180269D+01 -0.240620D+01
      3   0.160810D+00  0.295079D+01 -0.576052D+01  0.136968D+01  0.134076D+00
                71            72            73            74            75 
      1   0.254069D+01  0.338872D+00 -0.385587D+00  0.330376D+00  0.233202D+01
      2  -0.916935D+00  0.364662D-01 -0.161524D+01  0.948463D-01  0.182754D+01
      3   0.135334D+01  0.381549D+00 -0.103519D+02  0.163281D+01 -0.199739D+00
                76            77            78            79            80 
      1  -0.132474D+01  0.417533D+00 -0.358622D+01 -0.317826D+01  0.121828D+01
      2  -0.514724D+00  0.388707D+00 -0.250975D+01 -0.217040D+01 -0.938405D-01
      3   0.396886D+01  0.602727D+00  0.795602D+00  0.450198D+00 -0.180904D+00
                81            82            83            84            85 
      1   0.673802D+00  0.673946D+00  0.422867D+00 -0.173163D+01  0.550920D+00
      2   0.866450D+00  0.121365D+01  0.712253D+00  0.666016D+00  0.892473D+00
      3   0.133077D+01  0.600661D+01  0.312646D+01 -0.130838D+01  0.515791D+01
                86            87            88            89            90 
      1   0.136311D+01 -0.515365D+01  0.964761D+00  0.248092D+01  0.599152D+00
      2   0.120494D+01  0.957174D+00 -0.124395D+01  0.590491D+00 -0.752216D+00
      3   0.398214D+01 -0.150497D+01 -0.101874D+01 -0.184640D+01 -0.368842D+00
                91            92            93            94            95 
      1   0.329961D+01  0.102409D+01 -0.172293D+01  0.686790D+01  0.254755D+00
      2  -0.514283D+01 -0.233733D+01 -0.733413D+01 -0.231213D+01 -0.114096D+02
      3   0.185363D+02  0.958739D-01  0.232708D+01  0.282991D+02 -0.155872D+02
                96            97            98            99           100 
      1  -0.230866D+01 -0.217468D+01  0.569843D+01  0.126051D+01  0.416282D+01
      2  -0.175979D+01 -0.381325D+02  0.119241D+01  0.624417D+01 -0.111011D+02
      3   0.113175D+02 -0.539528D+00  0.146889D+02  0.832066D+01  0.660352D+01
               101           102           103           104           105 
      1  -0.700219D+01  0.903726D+00 -0.253982D+01  0.420538D+00 -0.128068D+02
      2  -0.956710D+00  0.179631D+02 -0.289819D+01  0.206763D+02  0.351680D+01
      3  -0.154897D+02 -0.492321D+00 -0.981017D+01  0.183688D+01 -0.175447D+02
               106           107           108           109           110 
      1   0.359899D+01 -0.678848D+01 -0.397067D+01 -0.518356D+01  0.202562D+01
      2   0.207312D+02 -0.595314D+00 -0.772694D+01  0.125745D+02  0.645605D+01
      3   0.854624D+01 -0.162403D+02 -0.573885D+01 -0.774729D+01  0.768882D+01
               111           112           113           114           115 
      1   0.105662D+02 -0.115079D+02 -0.764672D+01 -0.541150D+01  0.102108D+02
      2   0.482014D+01  0.706010D+01  0.556898D+01 -0.104077D+02  0.762725D+01
      3  -0.861407D+01  0.522260D+01  0.188545D+02 -0.413470D+01 -0.213004D+02
               116           117           118           119           120 
      1   0.197428D+01  0.581831D+01  0.145195D+01 -0.111311D+01  0.110151D+01
      2  -0.238884D+01  0.282166D+01  0.414809D+01 -0.154193D+01  0.584635D+01
      3  -0.107505D+02 -0.513083D+01  0.994144D+01 -0.746601D+01  0.198133D+00
               121           122           123           124           125 
      1  -0.124403D+01  0.191939D+01 -0.283383D+01  0.112952D+01 -0.258545D+00
      2  -0.185658D+01  0.552237D+01 -0.546215D+01  0.356606D+01 -0.408344D+01
      3  -0.101356D+01  0.187647D+02 -0.488347D+01 -0.886113D+00 -0.645294D+01
               126           127           128           129           130 
      1   0.671342D+00 -0.275143D+01  0.332289D+01 -0.849094D+00  0.137654D+01
      2   0.253099D+01 -0.435215D+01  0.390654D+01 -0.619921D+01  0.365176D+01
      3   0.269152D+01 -0.530176D+01  0.463765D+01 -0.217547D+01  0.377835D+01
               131           132           133           134           135 
      1  -0.919492D+01  0.370094D+01 -0.384528D+00  0.544631D+01 -0.299347D+01
      2  -0.105695D+02  0.101199D+02 -0.266688D+01  0.518485D+01 -0.911983D+01
      3  -0.138352D+02  0.942038D+01 -0.143987D+00  0.618056D+01 -0.547705D+01
               136           137           138           139           140 
      1  -0.287620D+01 -0.274845D+01  0.753250D+00 -0.266868D+01 -0.108403D+01
      2   0.986838D+01  0.917267D+00  0.793234D+01  0.834103D+00 -0.753015D+00
      3  -0.894029D+01 -0.628122D+01  0.135533D+01 -0.454703D+01 -0.114237D+01
               141           142           143           144           145 
      1   0.503897D+00 -0.494732D-01  0.150152D+01 -0.364929D+00  0.182228D+01
      2   0.101230D+01  0.142265D+01  0.109090D+01  0.339964D+00 -0.403497D+01
      3   0.248896D+01 -0.582271D+00  0.310960D+01 -0.139153D+01  0.308304D+01
               146           147           148           149           150 
      1   0.311238D+01  0.163544D+00  0.174051D+01  0.803967D+01  0.290146D+01
      2  -0.417984D+01 -0.675062D+01 -0.230559D+01 -0.131667D+02 -0.133806D+02
      3   0.454475D+01  0.263405D+01  0.332077D+01  0.145676D+02  0.111566D+02
               151           152           153           154           155 
      1  -0.475749D+00  0.537403D+01  0.276431D+01  0.455108D+01  0.103721D+00
      2  -0.346116D+01 -0.906375D+01 -0.139864D+02 -0.112888D+02 -0.194447D+01
      3  -0.777247D+00  0.818576D+01  0.844779D+01 -0.813232D+01 -0.208132D+02
               156           157           158           159           160 
      1  -0.704937D+01  0.753563D+01  0.485593D+01 -0.516695D+01 -0.404287D+01
      2   0.180070D+02 -0.163404D+01 -0.569723D+01  0.127277D+02  0.474118D+01
      3   0.228668D-01 -0.191323D+02 -0.280527D+02  0.168006D+01  0.518129D+01
               161           162           163           164           165 
      1   0.774082D+00  0.253685D+01  0.665954D+01  0.350363D+01 -0.398392D+01
      2   0.404121D+01 -0.103727D+02 -0.139061D+02 -0.679671D+01  0.311009D+01
      3   0.713179D+01 -0.300111D+01 -0.105340D+02 -0.447739D+01  0.136501D+01
               166           167           168           169           170 
      1   0.993363D+01  0.592394D+01  0.436664D+00 -0.296108D+01  0.615952D+01
      2  -0.113975D+02  0.427254D+01  0.999770D+01 -0.245627D+00  0.546388D+01
      3  -0.259097D+01 -0.654288D+01 -0.103341D+02  0.745678D+01 -0.220975D+01
               171           172           173           174           175 
      1  -0.450447D+01 -0.872834D+01 -0.414311D+01  0.146850D+01 -0.110849D+02
      2   0.223085D+02  0.217678D+02  0.504039D+01 -0.782388D+01  0.110819D+02
      3  -0.471003D+01  0.231686D+01  0.300224D+01  0.299324D+01  0.109212D+02
               176           177           178           179           180 
      1  -0.462910D+01 -0.110842D+01  0.120524D+01  0.285725D+00 -0.132309D+01
      2   0.459670D+01 -0.531679D+01 -0.371970D+01 -0.138350D+01  0.681344D+01
      3   0.162186D+01  0.134516D+01  0.263462D+01  0.138218D+01  0.422740D+00
               181           182           183           184           185 
      1  -0.572890D-01  0.394966D+01  0.592629D+01  0.232022D+01  0.485486D+00
      2  -0.644553D+01  0.242340D+01  0.762460D+01 -0.488855D+01 -0.665162D+01
      3  -0.256003D+02  0.640992D+01 -0.231651D+01 -0.243105D+02 -0.792782D+01
               186           187           188           189           190 
      1  -0.268482D+01  0.115520D+02  0.451179D+01 -0.251697D+01 -0.143407D+01
      2  -0.320358D+01 -0.476984D+01 -0.109493D+02  0.279021D+01 -0.437350D+01
      3   0.477974D+01  0.807960D+01  0.445720D+01 -0.128444D+01  0.769349D+01
               191           192           193           194           195 
      1   0.300433D+01 -0.307606D+01  0.325315D+01  0.185890D+01  0.313781D+01
      2   0.625846D+01  0.640502D+00  0.134026D+02 -0.282353D+01 -0.435352D+00
      3   0.177724D+02 -0.477304D+01  0.484016D+02 -0.112964D+02  0.651573D+00
               196           197           198           199           200 
      1  -0.361697D+00  0.155803D+02 -0.452467D+01 -0.202729D+00 -0.315201D+01
      2  -0.282355D-01  0.269818D+01 -0.798141D+00 -0.119613D+01 -0.748133D+01
      3  -0.126949D+02  0.877800D+00  0.465142D+01 -0.311150D+02 -0.298585D+02
               201           202           203           204           205 
      1   0.991499D+00 -0.298789D+01  0.198282D+01 -0.376432D+01 -0.835819D+01
      2   0.534496D+01 -0.540848D+01  0.990807D+01  0.285041D+01 -0.144579D+02
      3   0.764648D+01  0.712304D+01  0.116270D+02 -0.646920D+01  0.395644D+01
               206           207           208           209           210 
      1   0.329573D+01  0.782299D+00  0.145493D+01 -0.277304D+01  0.388629D+01
      2   0.169104D+02 -0.732094D+01  0.220531D+01 -0.800519D+01  0.149419D+02
      3  -0.768485D+01 -0.666517D+01  0.186048D+01 -0.438823D+02  0.706041D+01
               211           212           213           214           215 
      1   0.315057D+00 -0.207912D+01 -0.529948D+01  0.143806D+01 -0.190097D+01
      2  -0.335474D+01 -0.284988D+01 -0.738309D+01 -0.667362D+01  0.356778D+01
      3  -0.567836D+01 -0.373443D+01  0.271274D+01  0.270592D+01  0.247565D+01
               216           217           218           219           220 
      1   0.149542D+01  0.519599D+00  0.122490D+01 -0.883179D+00 -0.145016D+01
      2  -0.926818D-01  0.755933D+01  0.400101D+01 -0.152334D+01  0.467413D+01
      3  -0.431131D+01  0.370588D+02  0.381233D+01 -0.550823D+01  0.252423D+02
               221           222           223           224           225 
      1   0.281129D+01  0.729886D+01 -0.140520D+02  0.990980D+01 -0.467774D+01
      2   0.982499D+01  0.362402D+02 -0.212079D+02  0.284445D+02 -0.229168D+02
      3  -0.344478D+02 -0.114161D+02 -0.504645D+01 -0.846853D+01 -0.279643D+02
               226           227           228           229           230 
      1   0.133908D+00 -0.253715D+00 -0.141105D+01 -0.454647D-01 -0.787654D+00
      2   0.207231D+01  0.181948D+01 -0.708821D-01  0.140472D+01  0.448446D+01
      3   0.794046D+01  0.571147D+01 -0.195980D+01  0.552578D+01  0.172529D+02
               231           232           233           234           235 
      1  -0.400233D+01  0.547168D+00  0.316971D+01  0.285094D+00 -0.941454D+00
      2  -0.119872D+01 -0.475311D+00 -0.106899D+01  0.377114D-01 -0.220031D+01
      3  -0.448846D+01 -0.197720D+01 -0.482255D+01  0.548805D+00 -0.463267D+01
               236           237           238           239           240 
      1   0.674372D+00  0.143431D+01 -0.288720D+00 -0.578510D+00 -0.279226D+01
      2  -0.112777D+00  0.132606D+01 -0.122759D+01  0.176052D+01 -0.291282D+01
      3  -0.381435D+01  0.923658D+00 -0.462765D+01  0.128856D+02 -0.175608D+01
               241           242           243           244           245 
      1  -0.267289D+01  0.147531D+01  0.508005D+00  0.112790D+00 -0.146532D+00
      2  -0.248124D+01 -0.114297D+00  0.111351D+01 -0.141895D+01 -0.106242D+01
      3   0.235243D+01 -0.273347D+01  0.145900D+01 -0.419468D+01 -0.413080D+01
               246           247           248           249           250 
      1  -0.148780D+01  0.221223D+00 -0.379733D+00 -0.353591D+01  0.719864D-01
      2   0.218897D+01 -0.162055D+01 -0.417610D+01  0.423858D+01 -0.179929D+01
      3   0.919402D+00 -0.276929D+01 -0.172967D+02  0.395224D+01  0.151485D+01
               251           252           253           254           255 
      1   0.180816D+01  0.576679D+00  0.475177D+00 -0.290478D+00 -0.126674D+01
      2   0.557031D+00 -0.811685D+00 -0.578134D+01 -0.585823D+00 -0.234762D+01
      3   0.455070D+01 -0.460239D+00  0.237562D+01  0.295253D+01  0.137211D+01
               256           257           258           259           260 
      1   0.175793D+01 -0.191821D+01 -0.508887D+01  0.323502D+01 -0.135941D+01
      2   0.612408D+01 -0.151296D+02 -0.166193D+02  0.994875D+01 -0.175924D+02
      3  -0.140468D+02  0.353635D+02  0.165920D+02 -0.777892D+01  0.201860D+02
               261           262           263           264           265 
      1  -0.484996D+01  0.132893D+00 -0.220566D+00 -0.483973D+00 -0.100512D+01
      2  -0.167352D+02  0.815131D+01 -0.177890D+01  0.292784D+00 -0.639855D+01
      3   0.178984D+02  0.201617D+00  0.885871D+00  0.895045D+00 -0.829740D+01
               266           267           268           269           270 
      1   0.121980D+01 -0.336279D+01  0.516606D+01 -0.233831D+00  0.832730D+01
      2   0.877206D+01 -0.140698D+02  0.185395D+02 -0.175780D+02  0.403605D+02
      3   0.144524D+02 -0.907944D+01  0.822941D+01 -0.135643D+02  0.172282D+02
               271           272           273           274           275 
      1  -0.107879D+01 -0.450352D+00  0.445771D+00 -0.186997D+00 -0.512975D+00
      2  -0.681381D+01 -0.750450D+00  0.949163D+01 -0.182465D+01 -0.203656D+01
      3  -0.219200D+02 -0.105195D+02  0.182306D+01 -0.122455D+02 -0.775112D+01
               276           277           278           279 
      1  -0.675035D+00  0.186327D+01  0.112653D+00  0.359383D-01
      2   0.240789D+01  0.885294D+01 -0.906328D+00 -0.140491D+01
      3   0.248386D+01  0.241480D+01  0.311472D+01  0.261594D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.924142D+02  0.501273D+02 -0.809052D+01 -0.793334D+02  0.469978D+00
      2   0.486025D+02 -0.305415D+02  0.508770D+01  0.452524D+02  0.126918D+01
      3   0.438117D+02 -0.195858D+02  0.300282D+01  0.340810D+02 -0.173915D+01
      4   0.563667D+02 -0.733735D+01 -0.570009D+00 -0.567088D+01 -0.231004D+01
      5  -0.187941D+02  0.164825D+01  0.158990D+01 -0.266414D+01  0.253977D+01
      6   0.284053D+01  0.545645D+00  0.101684D+01  0.172961D+01 -0.235568D+01
                 6             7             8             9            10 
      1   0.197591D+01  0.249908D+02 -0.561627D+01 -0.990295D+01  0.108875D+03
      2  -0.338327D+01 -0.121699D+02  0.290284D+01 -0.994844D+00 -0.525126D+02
      3   0.140737D+01 -0.128209D+02  0.271343D+01  0.108978D+02 -0.563629D+02
      4   0.142932D+01 -0.221901D+01  0.121333D+01  0.835872D+00 -0.371142D+02
      5   0.517104D+00  0.173757D+01 -0.171991D+01  0.241786D+00  0.116026D+02
      6   0.487518D+00  0.163435D+01  0.375550D+01  0.180842D+01 -0.637377D+01
                11            12            13            14            15 
      1  -0.224463D+02 -0.239931D+01  0.763277D+02 -0.275960D+02  0.381877D+00
      2   0.146604D+02 -0.128846D+00 -0.351057D+02  0.243230D+02 -0.505571D+01
      3   0.778593D+01  0.252816D+01 -0.412220D+02  0.327306D+01  0.467383D+01
      4   0.376946D+01 -0.138381D+01 -0.137359D+02  0.145628D+02 -0.238675D+01
      5  -0.640321D+01 -0.926276D+01  0.747665D+01 -0.299307D+01 -0.662727D-01
      6   0.931603D+00  0.138991D+01 -0.293145D+01 -0.334438D+01 -0.984406D+00
                16            17            18            19            20 
      1  -0.261105D+02  0.622325D+01 -0.913853D+01  0.626552D+02 -0.592908D+02
      2   0.133736D+02 -0.498468D+01  0.528789D+00 -0.335918D+02  0.423774D+02
      3   0.127369D+02 -0.123857D+01  0.860974D+01 -0.290633D+02  0.169134D+02
      4   0.651846D+01 -0.213567D+01  0.380917D+01 -0.553965D+02  0.589552D+01
      5  -0.308554D+01  0.413532D+01  0.684646D+00  0.213881D+02 -0.206350D+01
      6   0.504873D+01  0.579122D+01  0.175338D+01 -0.325077D+01 -0.116955D+01
                21            22            23            24            25 
      1   0.104952D+02  0.116393D+01  0.381489D+02 -0.839051D+01 -0.400728D+01
      2  -0.753990D+01 -0.135070D+02 -0.372540D+02  0.960132D+01  0.676599D+01
      3  -0.295530D+01  0.123431D+02 -0.894865D+00 -0.121081D+01 -0.275871D+01
      4  -0.598313D+00  0.275516D+02 -0.655664D+01  0.500289D+01 -0.546732D+01
      5  -0.537362D+01 -0.114560D+02  0.682318D+01  0.787553D+01  0.452620D+01
      6   0.150076D+01  0.100538D+02  0.906755D+01  0.152296D+01  0.165830D+01
                26            27            28            29            30 
      1  -0.542607D+01 -0.619013D+01 -0.199078D+01  0.967775D+01  0.146081D+01
      2   0.885888D+01 -0.841288D+01 -0.171663D+02 -0.107510D+02  0.655098D+00
      3  -0.343281D+01  0.146030D+02  0.191570D+02  0.107321D+01 -0.211591D+01
      4   0.672133D+01  0.257838D+01  0.260436D+02  0.121292D+02  0.667849D+00
      5   0.936916D+01 -0.329980D+01 -0.234353D+02  0.367763D+01  0.114987D+02
      6   0.340319D+01  0.946211D+00  0.129001D+02 -0.329600D+00 -0.309070D+01
                31            32            33            34            35 
      1   0.271804D+02 -0.756496D+02  0.135631D+02 -0.105752D+02  0.167297D+02
      2  -0.199864D+02  0.700267D+02 -0.176133D+02  0.450013D+01 -0.168133D+02
      3  -0.719407D+01  0.562292D+01  0.405014D+01  0.607512D+01  0.836166D-01
      4  -0.421044D+02  0.603901D+01  0.177640D+01  0.210548D+02  0.694154D+00
      5   0.156639D+02  0.507967D+00 -0.130235D+01  0.336358D+02 -0.536255D+01
      6   0.155067D+01 -0.100275D+02 -0.188950D+00 -0.623369D+01  0.723742D+01
                36            37            38            39            40 
      1  -0.260203D+01 -0.558416D+01  0.782072D+02 -0.187172D+02 -0.189857D+02
      2  -0.494647D+01  0.161067D+01 -0.651807D+02  0.959446D+01  0.237120D+02
      3   0.754850D+01  0.397350D+01 -0.130265D+02  0.912270D+01 -0.472631D+01
      4   0.281349D+01 -0.884356D+00 -0.241120D+02  0.439746D+01  0.990967D+01
      5  -0.412071D+00  0.185292D+01  0.168239D+00  0.491904D+01  0.770007D+01
      6   0.536612D+01 -0.396335D+01  0.652071D+01 -0.163909D+02 -0.150636D+02
                41            42            43            44            45 
      1   0.337965D+02 -0.119711D+02  0.748351D+01 -0.177381D+02 -0.108458D+02
      2  -0.347722D+02  0.104325D+02 -0.145275D+02  0.201563D+02  0.146638D+01
      3   0.975682D+00  0.153855D+01  0.704394D+01 -0.241823D+01  0.937946D+01
      4   0.674439D+01 -0.793160D+01  0.573864D+01 -0.582801D+01 -0.888297D+01
      5  -0.896185D+01 -0.682958D+01  0.220762D+02 -0.720475D+01  0.470634D+01
      6   0.111811D+02  0.275135D+01 -0.196975D+02  0.135364D+02  0.805206D+00
                46            47            48            49            50 
      1   0.480547D+01 -0.521204D+02  0.101245D+02  0.289662D+02 -0.892961D+01
      2  -0.572693D+01  0.459900D+02 -0.353569D+01 -0.238922D+02  0.243831D+00
      3   0.921454D+00  0.613039D+01 -0.658876D+01 -0.507401D+01  0.868578D+01
      4   0.162845D+02 -0.396589D+01  0.137618D+01 -0.533716D+01 -0.110760D+02
      5  -0.330027D+01  0.555657D+01 -0.234132D+01  0.171853D+01  0.297695D+01
      6   0.483816D+01 -0.122359D+01  0.125050D+02  0.450355D+01  0.143615D+02
                51            52            53            54            55 
      1  -0.650120D+01 -0.748817D+01 -0.210217D+01 -0.253858D+02  0.102936D+02
      2   0.965607D+01  0.820727D+01  0.138595D+02  0.110615D+02 -0.662440D+01
      3  -0.315487D+01 -0.719103D+00 -0.117574D+02  0.143243D+02 -0.366915D+01
      4   0.585691D+01  0.264291D+01  0.742855D+01  0.564757D+01 -0.373512D+02
      5   0.484166D+00  0.456209D+01  0.443026D+00  0.846744D-01  0.725247D+01
      6   0.520275D+01  0.205672D+01  0.240519D+02 -0.928660D+01  0.249105D+01
                56            57            58            59            60 
      1  -0.552575D+02  0.105457D+02  0.741304D+00  0.215174D+02 -0.109638D+02
      2   0.348975D+02 -0.178398D+01 -0.599080D+01 -0.174026D+02  0.102732D+02
      3   0.203600D+02 -0.876170D+01  0.524950D+01 -0.411479D+01  0.690598D+00
      4  -0.300101D+02  0.638421D+01  0.329506D+02 -0.191138D+02  0.352911D+00
      5   0.738530D+01 -0.156086D+02 -0.902145D+01  0.115301D+01 -0.608793D+00
      6   0.369758D+00  0.101079D+02  0.341909D+01  0.110854D+02  0.351773D+01
                61            62            63            64            65 
      1  -0.201034D+01 -0.757248D+01 -0.215396D+02  0.292046D+01 -0.944249D+00
      2   0.261576D+01  0.149545D+02  0.358625D+01 -0.750147D+00  0.172057D+01
      3  -0.605418D+00 -0.738199D+01  0.179534D+02 -0.217031D+01 -0.776323D+00
      4  -0.609178D+01  0.253086D+01 -0.104144D+02  0.697673D+01  0.926250D+01
      5   0.108385D+01 -0.125007D+02  0.960502D+01 -0.219505D+01 -0.235092D+01
      6  -0.257432D+00  0.166966D+02 -0.612999D+01 -0.151229D+01 -0.121602D+01
                66            67            68            69            70 
      1   0.160359D+00 -0.461040D+01 -0.166682D+02  0.440852D+01  0.536868D+00
      2   0.164236D+00  0.588974D+01  0.181037D+02 -0.216772D+01 -0.392050D-01
      3  -0.324595D+00 -0.127934D+01 -0.143548D+01 -0.224080D+01 -0.497663D+00
      4  -0.180422D+01  0.121376D+02  0.172145D+02 -0.379621D+01 -0.332558D+01
      5   0.271100D+01 -0.352381D+01 -0.396143D+01  0.360521D+01  0.165445D+01
      6   0.102216D+01 -0.306702D+01 -0.684275D+01  0.520687D+01  0.216707D+01
                71            72            73            74            75 
      1   0.297286D+01 -0.372092D+01  0.216277D+01  0.545548D+01 -0.103016D+01
      2  -0.245865D+01  0.267094D+01  0.104351D+02 -0.162279D+02  0.205890D+01
      3  -0.514207D+00  0.104999D+01 -0.125978D+02  0.107724D+02 -0.102873D+01
      4  -0.437255D+01  0.237114D+01 -0.293226D+02  0.259174D+02 -0.393252D+01
      5   0.702617D+00 -0.153764D+01  0.429169D+01 -0.406893D+01  0.396700D+01
      6   0.341472D+01 -0.268577D+01 -0.276683D+01  0.324298D+01 -0.335489D+01
                76            77            78            79            80 
      1   0.110383D+02 -0.224747D+02  0.396077D+01 -0.289301D+01  0.468721D+01
      2  -0.232441D+02  0.394252D+02 -0.506855D+01  0.596611D+01 -0.709390D+01
      3   0.122058D+02 -0.169505D+02  0.110777D+01 -0.307310D+01  0.240669D+01
      4   0.284588D+02 -0.358033D+02  0.587596D+01 -0.533838D+01  0.630593D+01
      5  -0.555059D+01  0.600123D+01 -0.431542D+01  0.497338D+00 -0.283066D+01
      6   0.627100D+01 -0.748200D+01  0.653050D+01  0.928964D+00  0.367538D+01
                81            82            83            84            85 
      1  -0.114661D+01 -0.722580D+01 -0.115441D+02  0.330614D+01 -0.877355D+01
      2   0.238962D+01  0.100884D+02  0.170622D+02 -0.359459D+01  0.115173D+02
      3  -0.124301D+01 -0.286258D+01 -0.551812D+01  0.288450D+00 -0.274380D+01
      4  -0.282130D+01  0.858959D+01  0.174297D+02 -0.389372D+01  0.941328D+01
      5   0.159240D+01 -0.145536D+01 -0.262434D+01  0.290677D+01 -0.167811D+01
      6  -0.249082D+01 -0.317468D+01 -0.523048D+01  0.338227D+01 -0.323381D+01
                86            87            88            89            90 
      1  -0.513383D+02  0.125771D+02  0.241177D+01  0.132808D+02 -0.395011D+01
      2   0.696763D+02 -0.137908D+02 -0.342574D+01 -0.167096D+02  0.446600D+01
      3  -0.183380D+02  0.121366D+01  0.101397D+01  0.342879D+01 -0.515894D+00
      4   0.231717D+02 -0.502590D+01 -0.344349D+01 -0.548590D+01  0.270407D+01
      5  -0.246188D+01  0.188646D+01  0.621587D+00  0.267547D+01 -0.142231D+01
      6  -0.181529D+02  0.111677D+02  0.748328D+00  0.643137D+01 -0.404682D+01
                91            92            93            94            95 
      1  -0.372173D+01  0.490202D+01 -0.161894D+02 -0.174919D+01 -0.886472D+01
      2   0.932339D+01  0.142186D+00  0.358079D+00  0.861653D+01 -0.348462D+01
      3  -0.560166D+01 -0.504420D+01  0.158314D+02 -0.686734D+01  0.123493D+02
      4  -0.965238D+01 -0.186569D+02 -0.349568D+01 -0.254177D+02  0.306014D+02
      5   0.327020D+01 -0.522170D+01 -0.220089D+02  0.963468D+00 -0.185595D+02
      6  -0.576615D+01  0.111490D+01  0.921224D+00 -0.605113D+01  0.398258D+01
                96            97            98            99           100 
      1  -0.177791D+01 -0.225387D+00 -0.303514D+01 -0.200067D+02 -0.823529D+02
      2   0.142320D+01 -0.181111D+02  0.808574D+01  0.206838D+02  0.484230D+02
      3   0.354710D+00  0.183365D+02 -0.505060D+01 -0.677168D+00  0.339299D+02
      4  -0.212757D+02 -0.885029D+01 -0.216551D+02 -0.451786D+01  0.316997D+01
      5  -0.435048D+01 -0.706825D+02  0.358155D+01  0.211193D+02  0.459069D+02
      6   0.416382D+01  0.226429D+01 -0.245537D+01 -0.197481D+01 -0.341702D+00
               101           102           103           104           105 
      1  -0.967639D+00  0.321445D+02 -0.872123D+01  0.348448D+02  0.687288D+01
      2   0.274286D+00 -0.989131D+01  0.187129D+01 -0.746209D+01 -0.214824D+01
      3   0.693353D+00 -0.222532D+02  0.684994D+01 -0.273827D+02 -0.472464D+01
      4   0.212397D+02  0.870177D+00  0.209718D+02 -0.338085D+01  0.267454D+02
      5   0.259413D+01  0.892029D+01  0.519171D+01  0.175943D+02  0.426996D+01
      6  -0.126120D+02 -0.126435D+01 -0.676347D+01 -0.237072D+01 -0.214426D+02
               106           107           108           109           110 
      1   0.565394D+01  0.482636D+01  0.177762D+02 -0.633503D+02 -0.258761D+02
      2   0.178995D+02 -0.404599D+01 -0.241817D+02  0.202926D+02  0.213873D+01
      3  -0.235534D+02 -0.780369D+00  0.640549D+01  0.430577D+02  0.237373D+02
      4  -0.543174D+00  0.218583D+02  0.185721D+01 -0.475129D+02 -0.288971D+02
      5   0.441013D+02 -0.166403D+01 -0.333761D+02  0.806890D+01  0.132210D+01
      6  -0.302622D+01 -0.150675D+02 -0.416164D+01  0.805756D+00  0.362727D+01
               111           112           113           114           115 
      1   0.443068D+01 -0.346469D+02 -0.158655D+02  0.118246D+02  0.417151D+02
      2  -0.308087D+01  0.650811D+01  0.223191D+01  0.385659D+00 -0.163122D+02
      3  -0.134981D+01  0.281388D+02  0.136336D+02 -0.122103D+02 -0.254030D+02
      4   0.429387D+01 -0.153312D+02 -0.255546D+02  0.129781D+02  0.288765D+02
      5   0.165597D+01 -0.365941D-01  0.959415D+01 -0.509803D+01  0.246957D+02
      6  -0.397595D+01  0.538218D+01 -0.150970D+01 -0.872240D+00  0.474261D+01
               116           117           118           119           120 
      1   0.102312D+02  0.230088D+02  0.149965D+02 -0.123905D+02  0.661319D+01
      2  -0.142016D+01 -0.272594D+01 -0.151690D+01  0.222854D+01 -0.172277D+01
      3  -0.881108D+01 -0.202828D+02 -0.134796D+02  0.101619D+02 -0.489042D+01
      4   0.228893D+02  0.667857D+01 -0.248150D+02  0.236756D+02 -0.236116D+01
      5   0.291745D+01  0.435931D-01  0.828441D+01 -0.193971D+01  0.115541D+02
      6  -0.213629D+00 -0.210829D+01 -0.226987D+01  0.122549D+01 -0.927503D+00
               121           122           123           124           125 
      1  -0.198376D+02  0.423165D+01 -0.154609D+01  0.883918D+01  0.287478D+00
      2   0.517237D+01  0.119560D+02 -0.269298D+01 -0.313549D+01 -0.352474D+01
      3   0.146652D+02 -0.161876D+02  0.423907D+01 -0.570369D+01  0.323726D+01
      4   0.243119D+02 -0.450276D+02  0.104375D+02 -0.447497D+01  0.143251D+02
      5  -0.278016D+01  0.956961D+01 -0.108266D+02  0.142268D+02 -0.925095D+01
      6   0.135413D+01 -0.365039D+01  0.423258D+01 -0.274957D+01  0.639877D+01
               126           127           128           129           130 
      1   0.400839D+01 -0.145392D+01  0.800663D+01 -0.112814D+02  0.108849D+02
      2  -0.213922D+01  0.341369D+00 -0.307251D+01 -0.115192D-02 -0.660430D+01
      3  -0.186917D+01  0.111255D+01 -0.493412D+01  0.112826D+02 -0.428059D+01
      4  -0.982168D+01  0.394919D+01 -0.639317D+01  0.259051D+01 -0.487112D+00
      5   0.563146D+01 -0.619688D+00 -0.277428D+00 -0.604553D+01 -0.832132D+01
      6  -0.335835D+01 -0.366627D+01  0.583497D+01 -0.299668D+01  0.121319D+01
               131           132           133           134           135 
      1  -0.175769D+02  0.114004D+02 -0.509350D+01  0.696237D+01 -0.143690D+02
      2   0.562558D+01  0.298238D+01  0.129000D+01  0.163938D+01 -0.198596D+01
      3   0.119513D+02 -0.143827D+02  0.380351D+01 -0.860176D+01  0.163550D+02
      4   0.230038D+02 -0.154264D+02 -0.579182D-01 -0.110460D+02  0.872179D+01
      5  -0.110111D+02  0.163607D+02  0.222313D+01  0.641073D+01 -0.108497D+02
      6  -0.169693D+02  0.138673D+02 -0.263121D+00  0.111684D+02 -0.820970D+01
               136           137           138           139           140 
      1   0.118255D+03 -0.173158D+01 -0.224788D+02  0.234102D+01  0.600773D+01
      2  -0.724929D+02  0.908578D+00  0.207393D+02 -0.249136D+01 -0.423530D+01
      3  -0.457616D+02  0.823006D+00  0.173942D+01  0.150338D+00 -0.177244D+01
      4  -0.606963D+01  0.113881D+02  0.261951D+01  0.146872D+02  0.111710D+00
      5  -0.711513D+02  0.226014D+01  0.324373D+02 -0.225637D+01 -0.691345D+01
      6   0.349101D+01 -0.399124D+01 -0.182360D+01 -0.429004D+01  0.461217D-02
               141           142           143           144           145 
      1  -0.800782D+00 -0.862243D+01 -0.146460D+01  0.905078D+01  0.122284D+01
      2   0.140790D+01  0.950213D+01  0.532750D+00 -0.768752D+01 -0.152221D+01
      3  -0.607122D+00 -0.879699D+00  0.931852D+00 -0.136326D+01  0.299377D+00
      4  -0.573327D+01 -0.797949D+00 -0.387580D+01  0.451254D+00 -0.356945D+01
      5   0.197030D+01  0.192231D+02  0.119421D+01 -0.893810D+01 -0.406675D+01
      6   0.426695D+01 -0.201027D-01  0.297385D+01  0.524729D+00  0.399193D+01
               146           147           148           149           150 
      1  -0.948339D+01 -0.137074D+02 -0.776545D+01 -0.209635D+02 -0.164962D+02
      2   0.374801D+01  0.196607D+01  0.526681D+01  0.951498D+01  0.215423D+00
      3   0.573538D+01  0.117414D+02  0.249864D+01  0.114485D+02  0.162807D+02
      4  -0.476940D+01 -0.272296D+01  0.377263D+01 -0.264034D+02 -0.214806D+02
      5  -0.307095D+00 -0.464878D+01  0.827581D+01 -0.170570D+02 -0.219310D+02
      6   0.662460D+01  0.513142D+01 -0.609973D+00  0.224385D+02  0.207572D+02
               151           152           153           154           155 
      1  -0.465000D+01 -0.116888D+02 -0.205999D+02  0.147849D+03  0.393618D+02
      2   0.222562D+01 -0.251193D+00 -0.237175D+01 -0.615858D+02 -0.935144D+01
      3   0.242438D+01  0.119400D+02  0.229716D+02 -0.862632D+02 -0.300103D+02
      4   0.281280D+01 -0.150640D+02 -0.148969D+02  0.736934D+02  0.482770D+02
      5   0.421067D+01 -0.129449D+02 -0.200087D+02  0.340419D+01  0.345287D+01
      6  -0.184017D+00  0.158069D+02  0.165976D+02 -0.156374D+01 -0.687892D+00
               156           157           158           159           160 
      1  -0.855418D+01  0.497369D+02  0.318677D+02 -0.525471D+01 -0.128378D+02
      2   0.102666D+01 -0.686942D+01  0.509359D+01 -0.146551D+01  0.259091D+01
      3   0.752752D+01 -0.428674D+02 -0.369613D+02  0.672022D+01  0.102469D+02
      4  -0.593519D+00  0.696711D+02  0.635708D+02 -0.846154D+01 -0.103218D+02
      5   0.278380D+02 -0.161448D+01 -0.356926D+01  0.167735D+02  0.276903D+02
      6   0.713038D+01  0.910018D+00  0.750675D+00  0.809522D+01  0.905411D+01
               161           162           163           164           165 
      1  -0.400747D+01  0.150265D+02  0.417695D+02  0.167933D+02  0.957020D+01
      2  -0.236735D+01 -0.737512D+01 -0.245080D+02 -0.542036D+01 -0.866351D+01
      3   0.637482D+01 -0.765134D+01 -0.172615D+02 -0.113730D+02 -0.906687D+00
      4  -0.145865D+02  0.140197D+02  0.349520D+02  0.159778D+02  0.245820D+01
      5   0.126250D+02 -0.126728D+02  0.242749D+02  0.344577D+01  0.174938D+02
      6   0.701780D+01 -0.260598D+01  0.123485D+02  0.213868D+01  0.120202D+01
               166           167           168           169           170 
      1   0.217359D+02 -0.353630D+01 -0.126316D+02 -0.134924D+02 -0.104034D+02
      2  -0.102247D+02  0.362760D+01  0.279091D+01  0.739737D+00  0.238588D+01
      3  -0.115112D+02 -0.913025D-01  0.984071D+01  0.127527D+02  0.801752D+01
      4   0.206512D+02  0.118035D+02  0.115394D+02 -0.900203D+01  0.316500D+00
      5   0.129160D+02  0.131187D+02  0.139716D+02  0.147025D+02  0.665601D+01
      6   0.465203D+01  0.937022D+01  0.132964D+02  0.511378D+00  0.100191D+02
               171           172           173           174           175 
      1  -0.273429D+02 -0.399433D+02 -0.928034D+01  0.113794D+02 -0.218350D+02
      2  -0.144063D+02  0.195459D+02  0.316434D+01  0.252903D+01  0.128819D+02
      3   0.417493D+02  0.203975D+02  0.611600D+01 -0.139084D+02  0.895310D+01
      4   0.433897D+01 -0.272245D+02 -0.115216D+02 -0.183831D+01 -0.192164D+02
      5   0.449807D+02 -0.166624D+02 -0.552282D+01 -0.136602D+02 -0.125618D+02
      6   0.134534D+02 -0.872247D+01 -0.507162D+01 -0.412983D+01 -0.582591D+01
               176           177           178           179           180 
      1  -0.111025D+02  0.384831D+01  0.190204D+01  0.132050D+01 -0.121393D+02
      2   0.513790D+01  0.360427D+01  0.479677D+01  0.506747D+00  0.185775D+01
      3   0.596459D+01 -0.745258D+01 -0.669881D+01 -0.182725D+01  0.102815D+02
      4  -0.718892D+01  0.707206D+00 -0.608361D+01 -0.622831D+00 -0.509380D+01
      5  -0.312338D+00 -0.107529D+02 -0.613789D+01 -0.203762D+01  0.379192D+01
      6  -0.304303D+01  0.120224D+01 -0.315107D+01  0.171854D+01 -0.168010D+01
               181           182           183           184           185 
      1  -0.409595D+01  0.611851D+02 -0.135459D+02 -0.819311D+02  0.295082D+02
      2  -0.924426D-01 -0.405554D+02  0.288664D+01  0.520478D+02 -0.227869D+02
      3   0.418839D+01 -0.206297D+02  0.106592D+02  0.298833D+02 -0.672134D+01
      4   0.303980D+02  0.378486D+02 -0.924570D+01  0.335815D+02  0.186418D+02
      5  -0.359801D+01 -0.113973D+02  0.195950D+02 -0.121129D+01 -0.131356D+02
      6  -0.262558D+01  0.454942D+01 -0.127746D+02 -0.103748D+02  0.878532D+01
               186           187           188           189           190 
      1  -0.376426D+01  0.224711D+02 -0.131370D+02  0.117145D+01  0.119249D+03
      2   0.434823D+01 -0.224350D+02  0.132475D+02 -0.776957D+01 -0.679738D+02
      3  -0.583973D+00 -0.360281D-01 -0.110566D+00  0.659812D+01 -0.512749D+02
      4  -0.133583D+02 -0.587952D+01 -0.153504D+02 -0.130264D+02 -0.205636D+02
      5  -0.785345D+01  0.276908D+02 -0.149326D+02  0.934357D+01  0.109251D+02
      6   0.475894D+01 -0.139547D+02  0.978219D+01  0.143507D+01  0.172387D+01
               191           192           193           194           195 
      1  -0.426197D+02  0.528392D+01  0.462317D+01 -0.182748D+02  0.109003D+02
      2   0.285794D+02 -0.310772D+01 -0.633846D+01  0.212483D+02 -0.134301D+02
      3   0.140403D+02 -0.217620D+01  0.171529D+01 -0.297355D+01  0.252977D+01
      4   0.327256D+02 -0.523904D+01 -0.193372D+02 -0.586739D+02  0.142350D+02
      5  -0.652658D+01  0.721391D+01  0.170041D+02  0.139414D+02 -0.442510D+01
      6  -0.330298D-01  0.545035D+01  0.526013D+01 -0.901889D+01 -0.233393D+01
               196           197           198           199           200 
      1  -0.169242D+01  0.128552D+02  0.247202D+02 -0.114688D+03  0.258898D+02
      2   0.207040D+01 -0.106019D+02 -0.213759D+02  0.560604D+02 -0.146832D+02
      3  -0.377984D+00 -0.225336D+01 -0.334433D+01  0.586272D+02 -0.112066D+02
      4   0.192442D+02  0.880771D+01 -0.717900D+01  0.320968D+02 -0.341122D+02
      5   0.517640D+02 -0.134085D+02  0.173079D+01 -0.843487D+01  0.142149D+02
      6  -0.224826D+01  0.726028D+01  0.418515D+01  0.668882D+01 -0.141846D+00
               201           202           203           204           205 
      1   0.193784D-02  0.942467D+02 -0.194990D+02 -0.341702D+01 -0.157809D+02
      2   0.613262D+00 -0.597861D+02  0.227748D+01  0.562676D+01  0.136148D+02
      3  -0.615200D+00 -0.344605D+02  0.172215D+02 -0.220974D+01  0.216611D+01
      4   0.996555D+01 -0.169578D+02  0.299280D+02  0.378361D+01  0.622833D+01
      5   0.240689D+01  0.595528D+01  0.274796D+01  0.997495D+01  0.698240D+01
      6   0.267082D-02  0.638310D+01  0.114788D+02  0.400615D+01  0.368074D+01
               206           207           208           209           210 
      1   0.189322D+01 -0.146838D+02  0.176642D+02  0.354384D+02 -0.688278D+01
      2   0.669078D+01 -0.267772D+01 -0.116078D+02 -0.222783D+02  0.320976D+01
      3  -0.858400D+01  0.173615D+02 -0.605636D+01 -0.131601D+02  0.367301D+01
      4   0.968831D+01  0.245353D+02  0.270177D+02  0.122292D+01  0.435517D+01
      5   0.253521D+02 -0.147915D+02 -0.940294D+01  0.510713D+01  0.255147D+02
      6   0.120224D+02 -0.135319D+01  0.110288D+01 -0.122510D+01 -0.677270D+01
               211           212           213           214           215 
      1  -0.937566D+00  0.145141D+02 -0.486541D+01  0.274649D+00 -0.507590D+01
      2   0.334446D+01 -0.564221D+01  0.635476D+01  0.141241D+01  0.430455D+01
      3  -0.240690D+01 -0.887193D+01 -0.148935D+01 -0.168706D+01  0.771344D+00
      4   0.414780D+02  0.814963D+01 -0.569658D+01 -0.936549D+01  0.104184D+01
      5  -0.101042D+02 -0.449566D+01 -0.137363D+02  0.995222D+01  0.552392D+01
      6  -0.139551D+01  0.224573D+01  0.867972D+01  0.308873D+01  0.228887D+01
               216           217           218           219           220 
      1   0.247582D+01 -0.675268D+02 -0.474775D+02  0.155902D+02 -0.432421D+02
      2  -0.165196D+01  0.413938D+02  0.237486D+02 -0.813295D+01  0.210653D+02
      3  -0.823862D+00  0.261330D+02  0.237289D+02 -0.745728D+01  0.221768D+02
      4   0.750695D+01 -0.461677D+02  0.164443D+02  0.154799D+01 -0.252680D+02
      5  -0.186366D+01  0.154865D+02  0.168039D+01 -0.648756D+01  0.714138D+01
      6  -0.329917D+01 -0.131258D+01 -0.103838D+01  0.183136D+01  0.369982D+01
               221           222           223           224           225 
      1   0.582376D+01  0.104497D+02  0.117189D+02  0.854711D+01 -0.291279D+01
      2  -0.743951D+01 -0.132198D+02  0.477252D-01 -0.111704D+02  0.978905D+00
      3   0.161574D+01  0.277006D+01 -0.117666D+02  0.262334D+01  0.193389D+01
      4   0.339346D+02  0.241041D+02  0.643369D+01  0.168199D+02  0.455632D+02
      5   0.242077D+02  0.706282D+02 -0.338447D+02  0.497986D+02 -0.430689D+02
      6  -0.977588D+01 -0.202014D+02  0.141077D+02 -0.158096D+02  0.833572D+01
               226           227           228           229           230 
      1  -0.657642D+01 -0.163860D+02  0.463248D+01 -0.723035D+01 -0.462050D+02
      2   0.675574D+01  0.152020D+02 -0.328291D+01  0.685036D+01  0.520451D+02
      3  -0.179320D+00  0.118401D+01 -0.134958D+01  0.379994D+00 -0.584004D+01
      4  -0.178694D+00  0.567282D+01 -0.859004D+00  0.237841D+01 -0.969829D+01
      5   0.396259D+00 -0.594504D+00  0.140390D+01  0.128846D+00  0.399616D+01
      6  -0.235419D+01 -0.443638D+01  0.264340D+01 -0.181608D+01 -0.155705D+02
               231           232           233           234           235 
      1   0.116699D+02  0.229358D+01  0.121877D+02 -0.393107D+01  0.338551D+02
      2  -0.990513D+01 -0.185767D+01 -0.123734D+02  0.358474D+01 -0.111909D+02
      3  -0.176475D+01 -0.435916D+00  0.185752D+00  0.346331D+00 -0.226642D+02
      4   0.276385D+01  0.175681D-01  0.269158D+01  0.114316D+01 -0.308926D+02
      5  -0.236258D+01  0.175953D+01 -0.921524D-01 -0.332684D+00  0.574404D+01
      6   0.930029D+01  0.778993D+00  0.553545D+01 -0.349881D+01 -0.206745D+01
               236           237           238           239           240 
      1  -0.130332D+02  0.117959D+01 -0.152103D+02  0.416474D+01 -0.865136D+00
      2   0.977754D-01  0.106684D+00 -0.386715D+01  0.153302D+02 -0.101276D+01
      3   0.129354D+02 -0.128628D+01  0.190774D+02 -0.194949D+02  0.187789D+01
      4   0.251944D+02 -0.382083D+01  0.375969D+02 -0.429764D+02  0.708052D+01
      5  -0.491618D+01  0.332476D+01 -0.910128D+01  0.908949D+01 -0.581955D+01
      6   0.237248D+01 -0.174029D+01  0.577363D+01 -0.674629D+01  0.509866D+01
               241           242           243           244           245 
      1   0.114050D+01 -0.603614D+00 -0.146980D+01  0.506529D+01  0.859152D+01
      2   0.270520D+01 -0.285925D+01  0.168001D+01  0.260443D+01  0.827142D+00
      3  -0.384569D+01  0.346286D+01 -0.210211D+00 -0.766972D+01 -0.941866D+01
      4  -0.765052D+01  0.838548D+01 -0.264226D+01  0.252695D+02  0.238960D+02
      5  -0.559085D+00 -0.227609D+01  0.170442D+01 -0.596156D+01 -0.514626D+01
      6   0.201720D+00  0.230209D+01 -0.178622D+01 -0.306245D+01 -0.280667D+01
               246           247           248           249           250 
      1  -0.209956D+01  0.602935D+01 -0.883544D+01  0.198469D+01 -0.168307D+01
      2   0.669612D+00  0.689245D+01  0.240761D+02 -0.324187D+01 -0.646226D+00
      3   0.142995D+01 -0.129218D+02 -0.152407D+02  0.125719D+01  0.232930D+01
      4  -0.621744D+01  0.316055D+02  0.513758D+02 -0.123802D+02 -0.862129D+01
      5   0.519212D+01 -0.695960D+01 -0.105024D+02  0.812951D+01  0.397278D+01
      6   0.267267D+01 -0.502637D+01 -0.905608D+01  0.733997D+01  0.333848D+01
               251           252           253           254           255 
      1   0.134068D+01 -0.135586D+01  0.282452D+01 -0.586329D+01 -0.111829D+02
      2  -0.428804D+01  0.256840D+01 -0.665427D+00  0.321593D+01  0.554068D+01
      3   0.294736D+01 -0.121253D+01 -0.215910D+01  0.264736D+01  0.564218D+01
      4  -0.135402D+02  0.450887D+01 -0.268862D+01 -0.780149D+00  0.185910D+01
      5   0.263208D+01 -0.268338D+01 -0.999371D+01  0.101790D+01 -0.340099D+01
      6   0.422358D+01 -0.352684D+01  0.251029D+01  0.997207D+00  0.214503D+01
               256           257           258           259           260 
      1  -0.213374D+02  0.379559D+01  0.128660D+01 -0.304317D+02  0.322049D+01
      2   0.561224D+01  0.110934D+02  0.443498D+01  0.134644D+02  0.264959D+01
      3   0.157252D+02 -0.148890D+02 -0.572158D+01  0.169673D+02 -0.587008D+01
      4   0.376228D+02 -0.572253D+02 -0.316245D+02  0.235517D+02 -0.337775D+02
      5   0.183249D+02 -0.325477D+02 -0.328397D+02  0.283668D+02 -0.335299D+02
      6  -0.901739D+01  0.149854D+02  0.131662D+02 -0.105926D+02  0.144781D+02
               261           262           263           264           265 
      1   0.209356D+01  0.118283D+02 -0.179055D+01  0.129449D+02 -0.776764D+01
      2  -0.252973D+01 -0.733041D+01  0.107847D+01 -0.559776D+01  0.307450D+01
      3   0.436173D+00 -0.449786D+01  0.712080D+00 -0.734714D+01  0.469313D+01
      4  -0.310839D+02 -0.114400D+01 -0.552795D+00 -0.566282D+01  0.208866D+02
      5  -0.328282D+02  0.143221D+02 -0.490073D+01  0.389575D+01 -0.159087D+02
      6   0.126815D+02 -0.323306D+01  0.105205D+01  0.279966D+00  0.499523D+01
               266           267           268           269           270 
      1   0.424218D+01 -0.579945D+01  0.459761D+02 -0.965115D+01  0.127643D+02
      2   0.197231D+00  0.221086D+01 -0.295213D+02  0.575659D+01 -0.170571D+02
      3  -0.443941D+01  0.358859D+01 -0.164548D+02  0.389456D+01  0.429281D+01
      4  -0.210946D+02  0.161583D+02 -0.244176D+02  0.208449D+02 -0.283932D+02
      5   0.170116D+02 -0.280349D+02  0.509349D+02 -0.322784D+02  0.782941D+02
      6  -0.602297D+01  0.110796D+02 -0.120226D+02  0.118273D+02 -0.171183D+02
               271           272           273           274           275 
      1   0.203885D+03  0.188790D+02 -0.145417D+02  0.618930D+02  0.192577D+02
      2  -0.108245D+03 -0.110059D+02  0.827648D+01 -0.336557D+02 -0.966554D+01
      3  -0.956404D+02 -0.787305D+01  0.626522D+01 -0.282374D+02 -0.959218D+01
      4   0.162495D+02  0.149258D+02 -0.775598D+00  0.236658D+02  0.137394D+02
      5  -0.155281D+02 -0.899003D+00  0.178756D+02 -0.371078D+01 -0.439090D+01
      6   0.229425D+01  0.656167D-01 -0.109332D+01  0.187361D+00  0.572655D+00
               276           277           278           279 
      1  -0.430697D+01 -0.243952D+02 -0.229157D+01  0.177537D+02
      2   0.294201D+01  0.138115D+02  0.218367D+01 -0.106175D+02
      3   0.136495D+01  0.105836D+02  0.107904D+00 -0.713621D+01
      4  -0.437782D+01 -0.116787D+01 -0.522256D+01 -0.131112D+01
      5   0.470589D+01  0.258571D+02 -0.147429D+01 -0.359715D+01
      6   0.140103D+01 -0.110109D+01  0.251257D+01 -0.200000D+00
 Leave Link  716 at Thu Aug 12 21:57:17 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.314439D+03 -0.194908D+02 -0.812807D+01
      2  -0.194908D+02  0.181784D+03 -0.116289D+02
      3  -0.812807D+01 -0.116289D+02  0.125076D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.650602D+01  0.207238D+02 -0.254508D+01
      2  -0.715232D+00 -0.169370D+02 -0.284825D+02
      3   0.143504D+03 -0.586668D+02  0.211055D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.399480D+03 -0.200667D+03  0.203337D+02
      2  -0.196243D+03  0.156510D+03 -0.526852D+02
      3  -0.203237D+03  0.441566D+02  0.323515D+02
      4  -0.126415D+03  0.109391D+03 -0.475704D+02
      5   0.841022D+02 -0.575604D+02 -0.560722D+02
      6  -0.203021D+02  0.143697D+02 -0.505398D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.442793D+02  0.131322D+02 -0.914802D+00 -0.373446D+02  0.693640D+01
      2   0.131322D+02 -0.788102D+01  0.106872D+01  0.693640D+01 -0.570642D+01
      3  -0.914802D+00  0.106872D+01 -0.181770D-01  0.223869D+00  0.843187D+00
                 6             7             8             9            10 
      1   0.223869D+00  0.123643D+02 -0.289266D+01 -0.104728D+01  0.420494D+02
      2   0.843187D+00 -0.289266D+01  0.151019D+01 -0.112676D+01 -0.141022D+02
      3   0.163923D+00 -0.104728D+01 -0.112676D+01  0.630037D+00  0.104219D+01
                11            12            13            14            15 
      1  -0.141022D+02  0.104219D+01  0.402994D+02 -0.757661D+01 -0.200936D+00
      2   0.452541D+01 -0.254359D+00 -0.757661D+01  0.776123D+01 -0.130475D+01
      3  -0.254359D+00 -0.170648D+00 -0.200936D+00 -0.130475D+01 -0.165328D+00
                16            17            18            19            20 
      1  -0.125254D+02  0.293509D+01  0.810627D+00  0.468074D+02 -0.133104D+02
      2   0.293509D+01 -0.169623D+01  0.124710D+01 -0.133104D+02  0.115361D+02
      3   0.810627D+00  0.124710D+01 -0.367567D+00  0.113360D+01 -0.209711D+01
                21            22            23            24            25 
      1   0.113360D+01 -0.263385D+02  0.490271D+01 -0.616194D+00  0.475120D+01
      2  -0.209711D+01  0.490271D+01 -0.840442D+01  0.424276D+00 -0.988989D+00
      3   0.600863D+00 -0.616194D+00  0.424276D+00 -0.188686D+01 -0.677288D+00
                26            27            28            29            30 
      1  -0.988989D+00 -0.677288D+00 -0.572860D+02  0.760741D+01  0.492413D+00
      2  -0.252960D+00 -0.304051D+01  0.760741D+01 -0.542609D+01  0.125185D+00
      3  -0.304051D+01  0.222089D+01  0.492413D+00  0.125185D+00 -0.234674D+01
                31            32            33            34            35 
      1   0.901000D+01 -0.417974D+01 -0.793482D+00 -0.448013D+01 -0.448797D+00
      2  -0.417974D+01  0.175741D+02 -0.382369D+01 -0.448797D+00 -0.311716D+01
      3  -0.793482D+00 -0.382369D+01  0.686194D+00 -0.687215D+01  0.170311D+01
                36            37            38            39            40 
      1  -0.687215D+01  0.436065D+00 -0.200264D+01  0.414206D+00  0.147626D+02
      2   0.170311D+01 -0.200264D+01 -0.154565D+02  0.341139D+01 -0.160724D+01
      3   0.190284D+00  0.414206D+00  0.341139D+01 -0.318217D+01 -0.116630D+01
                41            42            43            44            45 
      1  -0.160724D+01 -0.116630D+01 -0.403984D+01 -0.864396D+00 -0.544216D+01
      2  -0.625890D+01  0.280137D+01 -0.864396D+00  0.391652D+01  0.220237D+01
      3   0.280137D+01  0.104126D+01 -0.544216D+01  0.220237D+01 -0.843752D+00
                46            47            48            49            50 
      1   0.562317D+01  0.202118D+01 -0.632508D+00  0.275483D+01 -0.490256D+01
      2   0.202118D+01  0.107430D+02 -0.184365D+01 -0.490256D+01  0.167371D+01
      3  -0.632508D+00 -0.184365D+01  0.251082D+01  0.134074D+01  0.149032D+01
                51            52            53            54            55 
      1   0.134074D+01 -0.571179D+00  0.135673D+01  0.590979D+00 -0.265369D+01
      2   0.149032D+01  0.135673D+01  0.131693D+01  0.427287D+01 -0.289311D+01
      3   0.100879D+01  0.590979D+00  0.427287D+01 -0.282449D+01  0.702857D+00
                56            57            58            59            60 
      1  -0.289311D+01  0.702857D+00 -0.269345D+01  0.448095D+01 -0.124778D+01
      2  -0.590654D+01  0.800519D+00  0.448095D+01 -0.322545D+01 -0.869240D+00
      3   0.800519D+00 -0.257594D+01 -0.124778D+01 -0.869240D+00 -0.929929D+00
                61            62            63            64            65 
      1   0.596082D+00 -0.136255D+01 -0.262000D+00 -0.157503D+01 -0.222951D+01
      2  -0.136255D+01 -0.858086D+00 -0.384816D+01 -0.222951D+01 -0.111450D+01
      3  -0.262000D+00 -0.384816D+01  0.268340D+01  0.595854D+00  0.306883D+00
                66            67            68            69            70 
      1   0.595854D+00 -0.286069D+01 -0.289119D+01  0.875964D+00  0.963230D+00
      2   0.306883D+00 -0.289119D+01 -0.529375D+01  0.132123D+01  0.893640D+00
      3  -0.350027D+00  0.875964D+00  0.132123D+01 -0.101620D+01 -0.280497D+00
                71            72            73            74            75 
      1   0.893640D+00 -0.280497D+00 -0.566619D+01  0.367933D+01 -0.496279D+00
      2   0.131522D+01 -0.464871D+00  0.367933D+01 -0.370463D+01  0.607062D+00
      3  -0.464871D+00  0.356277D+00 -0.496279D+00  0.607062D+00 -0.406629D+00
                76            77            78            79            80 
      1   0.409414D+01 -0.485379D+01  0.102340D+01 -0.631987D+00  0.109697D+01
      2  -0.485379D+01  0.670577D+01 -0.107551D+01  0.109697D+01 -0.126272D+01
      3   0.102340D+01 -0.107551D+01  0.797657D+00  0.300525D+00  0.437692D+00
                81            82            83            84            85 
      1   0.300525D+00  0.108544D+01  0.194611D+01 -0.522494D+00  0.793276D+00
      2   0.437692D+00  0.194611D+01  0.290575D+01 -0.764872D+00  0.197010D+01
      3  -0.314811D+00 -0.522494D+00 -0.764872D+00  0.396819D+00 -0.442375D+00
                86            87            88            89            90 
      1   0.197010D+01 -0.442375D+00 -0.207150D+00 -0.501104D+00  0.209639D+00
      2   0.101083D+02 -0.235628D+01 -0.501104D+00 -0.270532D+01  0.606149D+00
      3  -0.235628D+01  0.133948D+01  0.209639D+00  0.606149D+00 -0.367340D+00
                91            92            93            94            95 
      1   0.198235D+02 -0.220658D+01  0.114347D+00  0.710367D+01  0.122254D+01
      2  -0.220658D+01  0.182319D+01  0.826393D+00  0.122254D+01 -0.231609D+01
      3   0.114347D+00  0.826393D+00  0.304818D+01  0.781339D+00  0.245814D+01
                96            97            98            99           100 
      1   0.781339D+00 -0.434420D+01  0.190966D+01  0.884469D+01  0.101611D+02
      2   0.245814D+01  0.190966D+01  0.192278D+01 -0.235886D+00  0.260065D+00
      3   0.111681D+01  0.884469D+01 -0.235886D+00 -0.225848D+01 -0.240385D+01
               101           102           103           104           105 
      1   0.260065D+00 -0.240385D+01 -0.965092D+00 -0.195408D+01 -0.324636D+00
      2  -0.179989D+01 -0.397431D+00 -0.195408D+01 -0.923272D-01 -0.387242D+01
      3  -0.397431D+00 -0.222194D+01 -0.324636D+00 -0.387242D+01 -0.879820D+00
               106           107           108           109           110 
      1   0.745618D+01 -0.104217D+01 -0.587022D+01  0.553813D+01  0.410884D+01
      2  -0.104217D+01 -0.241171D+01 -0.120548D+00  0.410884D+01  0.163930D+01
      3  -0.587022D+01 -0.120548D+00  0.345669D+01 -0.152454D+01 -0.703346D+00
               111           112           113           114           115 
      1  -0.152454D+01  0.228284D+00  0.174549D+01 -0.138548D+01 -0.990479D+01
      2  -0.703346D+00  0.174549D+01  0.386868D+00 -0.124328D+01 -0.243890D+01
      3  -0.134126D+01 -0.138548D+01 -0.124328D+01 -0.643603D+00 -0.421603D+01
               116           117           118           119           120 
      1  -0.243890D+01 -0.421603D+01 -0.143530D+01  0.239883D+01 -0.885861D+00
      2  -0.220637D+01 -0.137355D+00  0.239883D+01 -0.199763D+01  0.125100D+00
      3  -0.137355D+00  0.446303D+00 -0.885861D+00  0.125100D+00 -0.131978D+01
               121           122           123           124           125 
      1   0.475820D+01 -0.229798D+01  0.254847D+00 -0.155967D+01  0.208908D+00
      2  -0.229798D+01  0.516603D+01 -0.121496D+01  0.208908D+00 -0.152320D+01
      3   0.254847D+00 -0.121496D+01  0.139313D+01 -0.164174D+01  0.113451D+01
               126           127           128           129           130 
      1  -0.164174D+01  0.412678D+00 -0.654029D+00  0.218791D+00 -0.194150D+01
      2   0.113451D+01 -0.654029D+00  0.911151D+00 -0.421535D+00  0.234299D+00
      3  -0.636320D+00  0.218791D+00 -0.421535D+00  0.162998D+01  0.384783D+00
               131           132           133           134           135 
      1   0.234299D+00  0.384783D+00  0.385942D+00 -0.362867D-01  0.321889D+00
      2  -0.329346D+01  0.221320D+01 -0.362867D-01  0.169320D+01 -0.131051D+01
      3   0.221320D+01 -0.275511D+01  0.321889D+00 -0.131051D+01  0.223281D+01
               136           137           138           139           140 
      1  -0.172098D+02  0.244594D+00  0.435908D+01 -0.714290D+00 -0.116495D+01
      2   0.244594D+00 -0.794981D+00 -0.259751D+00 -0.116495D+01 -0.763970D-01
      3   0.435908D+01 -0.259751D+00 -0.261889D+01  0.212594D-01  0.701655D+00
               141           142           143           144           145 
      1   0.212594D-01  0.146578D+01  0.175703D+00 -0.135976D+01 -0.518196D+00
      2   0.701655D+00  0.175703D+00  0.761686D-01 -0.437207D-01  0.801242D+00
      3  -0.144158D+00 -0.135976D+01 -0.437207D-01  0.475398D+00  0.676800D+00
               146           147           148           149           150 
      1   0.801242D+00  0.676800D+00  0.132219D+01  0.321063D-01 -0.420042D+00
      2   0.987309D+00  0.723100D+00  0.321063D-01  0.392956D+01  0.316329D+01
      3   0.723100D+00  0.158253D+01 -0.420042D+00  0.316329D+01  0.366102D+01
               151           152           153           154           155 
      1  -0.423598D-01 -0.382906D-01  0.109263D+00 -0.163600D+02 -0.533931D+01
      2  -0.382906D-01  0.219289D+01  0.230317D+01 -0.533931D+01 -0.299598D+01
      3   0.109263D+00  0.230317D+01  0.370788D+01  0.938077D+00 -0.197879D+00
               156           157           158           159           160 
      1   0.938077D+00 -0.878244D+01 -0.610115D+01  0.692922D+00  0.181701D+01
      2  -0.197879D+00 -0.610115D+01 -0.502057D+01  0.639978D+00  0.893109D+00
      3  -0.214941D+01  0.692922D+00  0.639978D+00 -0.125122D+01 -0.211282D+01
               161           162           163           164           165 
      1   0.893109D+00 -0.211282D+01 -0.125893D+02 -0.378431D+01 -0.302644D+01
      2   0.141636D+01 -0.121379D+01 -0.378431D+01 -0.625221D+00  0.108675D-01
      3  -0.121379D+01  0.174516D+01 -0.302644D+01  0.108675D-01 -0.113147D+01
               166           167           168           169           170 
      1  -0.821209D+01 -0.155812D+01 -0.120172D+01  0.233177D+01  0.508647D+00
      2  -0.155812D+01 -0.129951D+01 -0.181188D+01  0.508647D+00 -0.117780D+00
      3  -0.120172D+01 -0.181188D+01 -0.243479D+01 -0.646511D+00 -0.150893D+01
               171           172           173           174           175 
      1  -0.646511D+00  0.100941D+02  0.308931D+01  0.107464D+01  0.920950D+01
      2  -0.150893D+01  0.308931D+01  0.975890D+00  0.580227D+00  0.160992D+01
      3  -0.683148D+01  0.107464D+01  0.580227D+00  0.272557D+01  0.154984D+01
               176           177           178           179           180 
      1   0.160992D+01  0.154984D+01  0.394555D+01  0.688912D+00  0.173161D+01
      2   0.624375D+00 -0.426266D+00  0.688912D+00 -0.107634D+01  0.698740D+00
      3  -0.426266D+00  0.176500D+01  0.173161D+01  0.698740D+00 -0.171758D+01
               181           182           183           184           185 
      1   0.342020D+01  0.162923D+01 -0.226578D+00 -0.164167D+02  0.441809D+01
      2   0.162923D+01  0.111097D+02 -0.247402D+01  0.441809D+01  0.242445D+01
      3  -0.226578D+00 -0.247402D+01  0.310770D+01  0.737381D+00 -0.211125D+01
               186           187           188           189           190 
      1   0.737381D+00  0.415636D+01 -0.376759D+00  0.392149D+01  0.375262D+02
      2  -0.211125D+01 -0.376759D+00 -0.292362D+01 -0.245453D+01 -0.898923D+01
      3  -0.129812D+01  0.392149D+01 -0.245453D+01  0.108809D+01  0.749948D+00
               191           192           193           194           195 
      1  -0.898923D+01  0.749948D+00 -0.426105D+01  0.384872D+01  0.111067D+01
      2   0.106044D+02 -0.115314D+01  0.384872D+01 -0.143037D+02  0.295679D+01
      3  -0.115314D+01  0.428906D+01  0.111067D+01  0.295679D+01 -0.769150D+00
               196           197           198           199           200 
      1  -0.387954D+00  0.135232D+01  0.718289D+01 -0.384698D+02  0.145026D+02
      2   0.135232D+01  0.208669D+01 -0.209315D+01  0.145026D+02 -0.980973D+01
      3   0.718289D+01 -0.209315D+01 -0.229749D+00 -0.126481D+01  0.183821D+01
               201           202           203           204           205 
      1  -0.126481D+01  0.211014D+02 -0.691382D+01  0.853723D+00 -0.248049D+01
      2   0.183821D+01 -0.691382D+01  0.876489D+01  0.268467D-01  0.134293D+01
      3  -0.549319D+00  0.853723D+00  0.268467D-01  0.225285D+01  0.809225D+00
               206           207           208           209           210 
      1   0.134293D+01  0.809225D+00 -0.789117D+01  0.547356D+01 -0.890696D+00
      2   0.768560D+00  0.424516D+01  0.547356D+01 -0.517774D+01  0.870238D+00
      3   0.424516D+01 -0.295363D+01 -0.890696D+00  0.870238D+00 -0.602723D+00
               211           212           213           214           215 
      1  -0.214300D+01  0.368739D+01 -0.879147D+00  0.103387D+01 -0.120783D+01
      2   0.368739D+01  0.606691D+00 -0.524984D+00 -0.120783D+01  0.528125D+00
      3  -0.879147D+00 -0.524984D+00 -0.123342D+01  0.199167D+00  0.743592D+00
               216           217           218           219           220 
      1   0.199167D+00  0.817477D+00 -0.527876D+01  0.108654D+01 -0.313741D+01
      2   0.743592D+00 -0.527876D+01  0.268128D+01  0.749484D-01 -0.201069D+01
      3  -0.602756D-02  0.108654D+01  0.749484D-01  0.903781D-01  0.459107D+00
               221           222           223           224           225 
      1  -0.201069D+01  0.459107D+00  0.355045D+00  0.499127D+00 -0.299391D+01
      2   0.255420D+01  0.231339D+01  0.499127D+00  0.171560D+01  0.436049D+01
      3   0.231339D+01  0.564086D+01 -0.299391D+01  0.436049D+01 -0.354641D+01
               226           227           228           229           230 
      1  -0.594548D+00 -0.171396D+01  0.460305D+00 -0.377028D+00 -0.132684D+01
      2  -0.171396D+01 -0.248551D+01  0.676303D+00 -0.132684D+01 -0.876132D+01
      3   0.460305D+00  0.676303D+00 -0.356295D+00  0.327559D+00  0.204574D+01
               231           232           233           234           235 
      1   0.327559D+00  0.168542D+00  0.458413D+00 -0.113865D-01  0.592558D+01
      2   0.204574D+01  0.458413D+00  0.226823D+01 -0.560358D+00 -0.320352D+01
      3  -0.124039D+01 -0.113865D-01 -0.560358D+00  0.357065D+00  0.388725D+00
               236           237           238           239           240 
      1  -0.320352D+01  0.388725D+00 -0.469528D+01  0.460791D+01 -0.985798D+00
      2   0.277860D+01 -0.443548D+00  0.460791D+01 -0.565441D+01  0.971582D+00
      3  -0.443548D+00  0.250917D+00 -0.985798D+00  0.971582D+00 -0.650903D+00
               241           242           243           244           245 
      1   0.699869D+00 -0.102593D+01 -0.313603D+00  0.208139D+01  0.293803D+01
      2  -0.102593D+01  0.118416D+01 -0.203080D+00  0.293803D+01  0.227824D+01
      3  -0.313603D+00 -0.203080D+00  0.212855D+00 -0.808182D+00 -0.635584D+00
               246           247           248           249           250 
      1  -0.808182D+00  0.362358D+01  0.376521D+01 -0.103189D+01 -0.984649D+00
      2  -0.635584D+00  0.376521D+01  0.712411D+01 -0.176126D+01 -0.105950D+01
      3   0.575854D+00 -0.103189D+01 -0.176126D+01  0.122936D+01  0.476408D+00
               251           252           253           254           255 
      1  -0.105950D+01  0.476408D+00 -0.783556D+00  0.544063D-01 -0.798770D+00
      2  -0.185654D+01  0.473811D+00  0.544063D-01 -0.689374D+00 -0.547122D-01
      3   0.473811D+00 -0.366383D+00 -0.798770D+00 -0.547122D-01 -0.557688D+00
               256           257           258           259           260 
      1  -0.268561D+01  0.287506D+01  0.158469D+01 -0.371650D+01  0.197816D+01
      2   0.287506D+01 -0.512213D+01 -0.304161D+01  0.197816D+01 -0.320427D+01
      3   0.158469D+01 -0.304161D+01 -0.283820D+01  0.238981D+01 -0.310554D+01
               261           262           263           264           265 
      1   0.238981D+01  0.540694D-01  0.228957D+00  0.113701D+01 -0.887042D+00
      2  -0.310554D+01  0.228957D+00 -0.474566D+00 -0.276708D+00  0.147759D+01
      3  -0.313971D+01  0.113701D+01 -0.276708D+00 -0.420085D-01 -0.123031D+01
               266           267           268           269           270 
      1   0.147759D+01 -0.123031D+01  0.547658D+01 -0.192141D+01  0.406153D+01
      2  -0.169830D+01  0.144304D+01 -0.192141D+01  0.175280D+01 -0.278216D+01
      3   0.144304D+01 -0.228784D+01  0.406153D+01 -0.278216D+01  0.683148D+01
               271           272           273           274           275 
      1   0.154560D+02  0.159172D+01 -0.118956D+01  0.539466D+01  0.152426D+01
      2   0.159172D+01  0.840566D+00 -0.675044D-01  0.152426D+01  0.112289D+01
      3  -0.118956D+01 -0.675044D-01  0.113245D+01 -0.295999D+00 -0.376641D+00
               276           277           278           279 
      1  -0.295999D+00 -0.209102D+01 -0.927347D-01  0.178760D+01
      2  -0.376641D+00 -0.927347D-01 -0.452129D+00 -0.178904D+00
      3   0.328706D+00  0.178760D+01 -0.178904D+00 -0.230896D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.211363D+01  0.278197D+01 -0.505268D+00  0.215730D+01 -0.976387D+00
      2   0.190678D+01  0.104002D+02 -0.124246D+01  0.686211D+01 -0.750957D+01
      3  -0.235433D+02  0.471886D+02 -0.107687D+02  0.222101D+02 -0.314944D+02
                 6             7             8             9            10 
      1   0.673393D-01 -0.523706D+01  0.774618D+01 -0.172686D+01 -0.472803D+00
      2   0.212101D+01 -0.215097D+02  0.461581D+01 -0.199827D+00 -0.248221D+01
      3   0.647818D+01  0.177887D+01  0.328753D+01 -0.583834D+00  0.316524D+02
                11            12            13            14            15 
      1   0.346782D+01 -0.124267D+01  0.104637D-01  0.729800D+00  0.879992D+00
      2   0.103388D+02 -0.771697D+01  0.634475D+01 -0.677997D+01  0.935586D+00
      3   0.378571D+02 -0.976226D+01  0.764972D+02 -0.350966D+02  0.423121D+01
                16            17            18            19            20 
      1  -0.598690D+01  0.663095D+01 -0.169403D+01 -0.296840D+01 -0.104172D+01
      2  -0.245590D+02  0.439794D+01  0.710001D+00 -0.481877D+01 -0.876382D+01
      3  -0.145796D+02  0.461190D+01 -0.778510D+00  0.236520D+02 -0.442974D+02
                21            22            23            24            25 
      1   0.111661D+00 -0.127547D+01 -0.653408D-01 -0.148662D+01 -0.676284D+01
      2   0.110488D+01 -0.190705D+01  0.290173D+01  0.118041D+01 -0.194293D+02
      3   0.102023D+02 -0.132808D+02  0.587900D+01 -0.246701D+01  0.912549D+01
                26            27            28            29            30 
      1   0.322505D+01 -0.117483D+01 -0.117067D+01  0.179874D+01  0.888890D+00
      2   0.838025D+01 -0.193882D+01  0.282882D+00  0.395701D+01  0.917209D+00
      3  -0.243434D+01 -0.119467D+01 -0.477271D+02  0.162597D+02 -0.225272D+01
                31            32            33            34            35 
      1   0.617460D+01  0.551746D+01  0.550687D+00  0.406745D+01  0.145348D+02
      2   0.390700D+01 -0.117127D+01  0.148984D+00 -0.162075D+02  0.150517D+01
      3   0.381233D+02 -0.113668D+02 -0.123595D+00 -0.415514D+01 -0.143044D+01
                36            37            38            39            40 
      1  -0.323566D+01 -0.360278D+00  0.921619D+00  0.788505D+01  0.263666D+01
      2   0.482048D+00 -0.566872D+01  0.108902D+01  0.165825D+01 -0.284000D+01
      3  -0.399048D+01 -0.178826D+02  0.452279D+01 -0.153341D+01  0.117481D+02
                41            42            43            44            45 
      1  -0.580809D+00 -0.222512D+01  0.185350D+02  0.438812D+01 -0.174354D+01
      2  -0.389041D+01 -0.160636D+01 -0.668509D+01 -0.786352D+01  0.222224D+01
      3  -0.204996D+01 -0.964027D+00 -0.488559D+01  0.178913D+00 -0.757077D+01
                46            47            48            49            50 
      1   0.304699D+00 -0.320054D+01 -0.690060D+01 -0.290179D+01 -0.490826D+00
      2   0.862940D+01 -0.777979D+01  0.197989D+01 -0.749855D+01  0.799149D+01
      3   0.382137D+02 -0.323120D+02  0.652986D+01 -0.102405D+02  0.287879D+02
                51            52            53            54            55 
      1  -0.345535D+01 -0.862185D+01 -0.551367D+01  0.448949D+01  0.103892D+01
      2  -0.150452D+01 -0.158266D+02 -0.107702D+01  0.245063D+01  0.740513D+01
      3  -0.491571D+01  0.501826D+01 -0.361064D+01  0.573511D+01  0.394333D+02
                56            57            58            59            60 
      1  -0.460100D+01 -0.499080D+01 -0.144454D+01  0.573805D+00 -0.244139D+01
      2  -0.986559D+01 -0.444461D+01 -0.733246D+01  0.724931D+01 -0.248710D+01
      3  -0.354332D+02  0.905115D+01 -0.868689D+01  0.371603D+02 -0.544082D+01
                61            62            63            64            65 
      1  -0.730515D+01 -0.289779D+01  0.232215D+01 -0.296157D+00 -0.532188D+00
      2  -0.224859D+02 -0.322125D+01  0.611554D+01  0.792174D+00  0.713816D+00
      3   0.678677D+01 -0.334263D+01  0.112445D+02  0.795697D+00 -0.215284D+00
                66            67            68            69            70 
      1  -0.127339D+01 -0.832152D+00 -0.163528D+01 -0.282635D+01 -0.702180D+00
      2   0.308561D+00  0.980158D+00 -0.508561D+00  0.180269D+01 -0.240620D+01
      3   0.160810D+00  0.295079D+01 -0.576052D+01  0.136968D+01  0.134076D+00
                71            72            73            74            75 
      1   0.254069D+01  0.338872D+00 -0.385587D+00  0.330376D+00  0.233202D+01
      2  -0.916935D+00  0.364662D-01 -0.161524D+01  0.948463D-01  0.182754D+01
      3   0.135334D+01  0.381549D+00 -0.103519D+02  0.163281D+01 -0.199739D+00
                76            77            78            79            80 
      1  -0.132474D+01  0.417533D+00 -0.358622D+01 -0.317826D+01  0.121828D+01
      2  -0.514724D+00  0.388707D+00 -0.250975D+01 -0.217040D+01 -0.938405D-01
      3   0.396886D+01  0.602727D+00  0.795602D+00  0.450198D+00 -0.180904D+00
                81            82            83            84            85 
      1   0.673802D+00  0.673946D+00  0.422867D+00 -0.173163D+01  0.550920D+00
      2   0.866450D+00  0.121365D+01  0.712253D+00  0.666016D+00  0.892473D+00
      3   0.133077D+01  0.600661D+01  0.312646D+01 -0.130838D+01  0.515791D+01
                86            87            88            89            90 
      1   0.136311D+01 -0.515365D+01  0.964761D+00  0.248092D+01  0.599152D+00
      2   0.120494D+01  0.957174D+00 -0.124395D+01  0.590491D+00 -0.752216D+00
      3   0.398214D+01 -0.150497D+01 -0.101874D+01 -0.184640D+01 -0.368842D+00
                91            92            93            94            95 
      1   0.329961D+01  0.102409D+01 -0.172293D+01  0.686790D+01  0.254755D+00
      2  -0.514283D+01 -0.233733D+01 -0.733413D+01 -0.231213D+01 -0.114096D+02
      3   0.185363D+02  0.958739D-01  0.232708D+01  0.282991D+02 -0.155872D+02
                96            97            98            99           100 
      1  -0.230866D+01 -0.217468D+01  0.569843D+01  0.126051D+01  0.416282D+01
      2  -0.175979D+01 -0.381325D+02  0.119241D+01  0.624417D+01 -0.111011D+02
      3   0.113175D+02 -0.539528D+00  0.146889D+02  0.832066D+01  0.660352D+01
               101           102           103           104           105 
      1  -0.700219D+01  0.903726D+00 -0.253982D+01  0.420538D+00 -0.128068D+02
      2  -0.956710D+00  0.179631D+02 -0.289819D+01  0.206763D+02  0.351680D+01
      3  -0.154897D+02 -0.492321D+00 -0.981017D+01  0.183688D+01 -0.175447D+02
               106           107           108           109           110 
      1   0.359899D+01 -0.678848D+01 -0.397067D+01 -0.518356D+01  0.202562D+01
      2   0.207312D+02 -0.595314D+00 -0.772694D+01  0.125745D+02  0.645605D+01
      3   0.854624D+01 -0.162403D+02 -0.573885D+01 -0.774729D+01  0.768882D+01
               111           112           113           114           115 
      1   0.105662D+02 -0.115079D+02 -0.764672D+01 -0.541150D+01  0.102108D+02
      2   0.482014D+01  0.706010D+01  0.556898D+01 -0.104077D+02  0.762725D+01
      3  -0.861407D+01  0.522260D+01  0.188545D+02 -0.413470D+01 -0.213004D+02
               116           117           118           119           120 
      1   0.197428D+01  0.581831D+01  0.145195D+01 -0.111311D+01  0.110151D+01
      2  -0.238884D+01  0.282166D+01  0.414809D+01 -0.154193D+01  0.584635D+01
      3  -0.107505D+02 -0.513083D+01  0.994144D+01 -0.746601D+01  0.198133D+00
               121           122           123           124           125 
      1  -0.124403D+01  0.191939D+01 -0.283383D+01  0.112952D+01 -0.258545D+00
      2  -0.185658D+01  0.552237D+01 -0.546215D+01  0.356606D+01 -0.408344D+01
      3  -0.101356D+01  0.187647D+02 -0.488347D+01 -0.886113D+00 -0.645294D+01
               126           127           128           129           130 
      1   0.671342D+00 -0.275143D+01  0.332289D+01 -0.849094D+00  0.137654D+01
      2   0.253099D+01 -0.435215D+01  0.390654D+01 -0.619921D+01  0.365176D+01
      3   0.269152D+01 -0.530176D+01  0.463765D+01 -0.217547D+01  0.377835D+01
               131           132           133           134           135 
      1  -0.919492D+01  0.370094D+01 -0.384528D+00  0.544631D+01 -0.299347D+01
      2  -0.105695D+02  0.101199D+02 -0.266688D+01  0.518485D+01 -0.911983D+01
      3  -0.138352D+02  0.942038D+01 -0.143987D+00  0.618056D+01 -0.547705D+01
               136           137           138           139           140 
      1  -0.287620D+01 -0.274845D+01  0.753250D+00 -0.266868D+01 -0.108403D+01
      2   0.986838D+01  0.917267D+00  0.793234D+01  0.834103D+00 -0.753015D+00
      3  -0.894029D+01 -0.628122D+01  0.135533D+01 -0.454703D+01 -0.114237D+01
               141           142           143           144           145 
      1   0.503897D+00 -0.494732D-01  0.150152D+01 -0.364929D+00  0.182228D+01
      2   0.101230D+01  0.142265D+01  0.109090D+01  0.339964D+00 -0.403497D+01
      3   0.248896D+01 -0.582271D+00  0.310960D+01 -0.139153D+01  0.308304D+01
               146           147           148           149           150 
      1   0.311238D+01  0.163544D+00  0.174051D+01  0.803967D+01  0.290146D+01
      2  -0.417984D+01 -0.675062D+01 -0.230559D+01 -0.131667D+02 -0.133806D+02
      3   0.454475D+01  0.263405D+01  0.332077D+01  0.145676D+02  0.111566D+02
               151           152           153           154           155 
      1  -0.475749D+00  0.537403D+01  0.276431D+01  0.455108D+01  0.103721D+00
      2  -0.346116D+01 -0.906375D+01 -0.139864D+02 -0.112888D+02 -0.194447D+01
      3  -0.777247D+00  0.818576D+01  0.844779D+01 -0.813232D+01 -0.208132D+02
               156           157           158           159           160 
      1  -0.704937D+01  0.753563D+01  0.485593D+01 -0.516695D+01 -0.404287D+01
      2   0.180070D+02 -0.163404D+01 -0.569723D+01  0.127277D+02  0.474118D+01
      3   0.228668D-01 -0.191323D+02 -0.280527D+02  0.168006D+01  0.518129D+01
               161           162           163           164           165 
      1   0.774082D+00  0.253685D+01  0.665954D+01  0.350363D+01 -0.398392D+01
      2   0.404121D+01 -0.103727D+02 -0.139061D+02 -0.679671D+01  0.311009D+01
      3   0.713179D+01 -0.300111D+01 -0.105340D+02 -0.447739D+01  0.136501D+01
               166           167           168           169           170 
      1   0.993363D+01  0.592394D+01  0.436664D+00 -0.296108D+01  0.615952D+01
      2  -0.113975D+02  0.427254D+01  0.999770D+01 -0.245627D+00  0.546388D+01
      3  -0.259097D+01 -0.654288D+01 -0.103341D+02  0.745678D+01 -0.220975D+01
               171           172           173           174           175 
      1  -0.450447D+01 -0.872834D+01 -0.414311D+01  0.146850D+01 -0.110849D+02
      2   0.223085D+02  0.217678D+02  0.504039D+01 -0.782388D+01  0.110819D+02
      3  -0.471003D+01  0.231686D+01  0.300224D+01  0.299324D+01  0.109212D+02
               176           177           178           179           180 
      1  -0.462910D+01 -0.110842D+01  0.120524D+01  0.285725D+00 -0.132309D+01
      2   0.459670D+01 -0.531679D+01 -0.371970D+01 -0.138350D+01  0.681344D+01
      3   0.162186D+01  0.134516D+01  0.263462D+01  0.138218D+01  0.422740D+00
               181           182           183           184           185 
      1  -0.572890D-01  0.394966D+01  0.592629D+01  0.232022D+01  0.485486D+00
      2  -0.644553D+01  0.242340D+01  0.762460D+01 -0.488855D+01 -0.665162D+01
      3  -0.256003D+02  0.640992D+01 -0.231651D+01 -0.243105D+02 -0.792782D+01
               186           187           188           189           190 
      1  -0.268482D+01  0.115520D+02  0.451179D+01 -0.251697D+01 -0.143407D+01
      2  -0.320358D+01 -0.476984D+01 -0.109493D+02  0.279021D+01 -0.437350D+01
      3   0.477974D+01  0.807960D+01  0.445720D+01 -0.128444D+01  0.769349D+01
               191           192           193           194           195 
      1   0.300433D+01 -0.307606D+01  0.325315D+01  0.185890D+01  0.313781D+01
      2   0.625846D+01  0.640502D+00  0.134026D+02 -0.282353D+01 -0.435352D+00
      3   0.177724D+02 -0.477304D+01  0.484016D+02 -0.112964D+02  0.651573D+00
               196           197           198           199           200 
      1  -0.361697D+00  0.155803D+02 -0.452467D+01 -0.202729D+00 -0.315201D+01
      2  -0.282355D-01  0.269818D+01 -0.798141D+00 -0.119613D+01 -0.748133D+01
      3  -0.126949D+02  0.877800D+00  0.465142D+01 -0.311150D+02 -0.298585D+02
               201           202           203           204           205 
      1   0.991499D+00 -0.298789D+01  0.198282D+01 -0.376432D+01 -0.835819D+01
      2   0.534496D+01 -0.540848D+01  0.990807D+01  0.285041D+01 -0.144579D+02
      3   0.764648D+01  0.712304D+01  0.116270D+02 -0.646920D+01  0.395644D+01
               206           207           208           209           210 
      1   0.329573D+01  0.782299D+00  0.145493D+01 -0.277304D+01  0.388629D+01
      2   0.169104D+02 -0.732094D+01  0.220531D+01 -0.800519D+01  0.149419D+02
      3  -0.768485D+01 -0.666517D+01  0.186048D+01 -0.438823D+02  0.706041D+01
               211           212           213           214           215 
      1   0.315057D+00 -0.207912D+01 -0.529948D+01  0.143806D+01 -0.190097D+01
      2  -0.335474D+01 -0.284988D+01 -0.738309D+01 -0.667362D+01  0.356778D+01
      3  -0.567836D+01 -0.373443D+01  0.271274D+01  0.270592D+01  0.247565D+01
               216           217           218           219           220 
      1   0.149542D+01  0.519599D+00  0.122490D+01 -0.883179D+00 -0.145016D+01
      2  -0.926818D-01  0.755933D+01  0.400101D+01 -0.152334D+01  0.467413D+01
      3  -0.431131D+01  0.370588D+02  0.381233D+01 -0.550823D+01  0.252423D+02
               221           222           223           224           225 
      1   0.281129D+01  0.729886D+01 -0.140520D+02  0.990980D+01 -0.467774D+01
      2   0.982499D+01  0.362402D+02 -0.212079D+02  0.284445D+02 -0.229168D+02
      3  -0.344478D+02 -0.114161D+02 -0.504645D+01 -0.846853D+01 -0.279643D+02
               226           227           228           229           230 
      1   0.133908D+00 -0.253715D+00 -0.141105D+01 -0.454647D-01 -0.787654D+00
      2   0.207231D+01  0.181948D+01 -0.708821D-01  0.140472D+01  0.448446D+01
      3   0.794046D+01  0.571147D+01 -0.195980D+01  0.552578D+01  0.172529D+02
               231           232           233           234           235 
      1  -0.400233D+01  0.547168D+00  0.316971D+01  0.285094D+00 -0.941454D+00
      2  -0.119872D+01 -0.475311D+00 -0.106899D+01  0.377114D-01 -0.220031D+01
      3  -0.448846D+01 -0.197720D+01 -0.482255D+01  0.548805D+00 -0.463267D+01
               236           237           238           239           240 
      1   0.674372D+00  0.143431D+01 -0.288720D+00 -0.578510D+00 -0.279226D+01
      2  -0.112777D+00  0.132606D+01 -0.122759D+01  0.176052D+01 -0.291282D+01
      3  -0.381435D+01  0.923658D+00 -0.462765D+01  0.128856D+02 -0.175608D+01
               241           242           243           244           245 
      1  -0.267289D+01  0.147531D+01  0.508005D+00  0.112790D+00 -0.146532D+00
      2  -0.248124D+01 -0.114297D+00  0.111351D+01 -0.141895D+01 -0.106242D+01
      3   0.235243D+01 -0.273347D+01  0.145900D+01 -0.419468D+01 -0.413080D+01
               246           247           248           249           250 
      1  -0.148780D+01  0.221223D+00 -0.379733D+00 -0.353591D+01  0.719864D-01
      2   0.218897D+01 -0.162055D+01 -0.417610D+01  0.423858D+01 -0.179929D+01
      3   0.919402D+00 -0.276929D+01 -0.172967D+02  0.395224D+01  0.151485D+01
               251           252           253           254           255 
      1   0.180816D+01  0.576679D+00  0.475177D+00 -0.290478D+00 -0.126674D+01
      2   0.557031D+00 -0.811685D+00 -0.578134D+01 -0.585823D+00 -0.234762D+01
      3   0.455070D+01 -0.460239D+00  0.237562D+01  0.295253D+01  0.137211D+01
               256           257           258           259           260 
      1   0.175793D+01 -0.191821D+01 -0.508887D+01  0.323502D+01 -0.135941D+01
      2   0.612408D+01 -0.151296D+02 -0.166193D+02  0.994875D+01 -0.175924D+02
      3  -0.140468D+02  0.353635D+02  0.165920D+02 -0.777892D+01  0.201860D+02
               261           262           263           264           265 
      1  -0.484996D+01  0.132893D+00 -0.220566D+00 -0.483973D+00 -0.100512D+01
      2  -0.167352D+02  0.815131D+01 -0.177890D+01  0.292784D+00 -0.639855D+01
      3   0.178984D+02  0.201617D+00  0.885871D+00  0.895045D+00 -0.829740D+01
               266           267           268           269           270 
      1   0.121980D+01 -0.336279D+01  0.516606D+01 -0.233831D+00  0.832730D+01
      2   0.877206D+01 -0.140698D+02  0.185395D+02 -0.175780D+02  0.403605D+02
      3   0.144524D+02 -0.907944D+01  0.822941D+01 -0.135643D+02  0.172282D+02
               271           272           273           274           275 
      1  -0.107879D+01 -0.450352D+00  0.445771D+00 -0.186997D+00 -0.512975D+00
      2  -0.681381D+01 -0.750450D+00  0.949163D+01 -0.182465D+01 -0.203656D+01
      3  -0.219200D+02 -0.105195D+02  0.182306D+01 -0.122455D+02 -0.775112D+01
               276           277           278           279 
      1  -0.675035D+00  0.186327D+01  0.112653D+00  0.359383D-01
      2   0.240789D+01  0.885294D+01 -0.906328D+00 -0.140491D+01
      3   0.248386D+01  0.241480D+01  0.311472D+01  0.261594D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.924142D+02  0.501273D+02 -0.809052D+01 -0.793334D+02  0.469978D+00
      2   0.486025D+02 -0.305415D+02  0.508770D+01  0.452524D+02  0.126918D+01
      3   0.438117D+02 -0.195858D+02  0.300282D+01  0.340810D+02 -0.173915D+01
      4   0.563667D+02 -0.733735D+01 -0.570009D+00 -0.567088D+01 -0.231004D+01
      5  -0.187941D+02  0.164825D+01  0.158990D+01 -0.266414D+01  0.253977D+01
      6   0.284053D+01  0.545645D+00  0.101684D+01  0.172961D+01 -0.235568D+01
                 6             7             8             9            10 
      1   0.197591D+01  0.249908D+02 -0.561627D+01 -0.990295D+01  0.108875D+03
      2  -0.338327D+01 -0.121699D+02  0.290284D+01 -0.994844D+00 -0.525126D+02
      3   0.140737D+01 -0.128209D+02  0.271343D+01  0.108978D+02 -0.563629D+02
      4   0.142932D+01 -0.221901D+01  0.121333D+01  0.835872D+00 -0.371142D+02
      5   0.517104D+00  0.173757D+01 -0.171991D+01  0.241786D+00  0.116026D+02
      6   0.487518D+00  0.163435D+01  0.375550D+01  0.180842D+01 -0.637377D+01
                11            12            13            14            15 
      1  -0.224463D+02 -0.239931D+01  0.763277D+02 -0.275960D+02  0.381877D+00
      2   0.146604D+02 -0.128846D+00 -0.351057D+02  0.243230D+02 -0.505571D+01
      3   0.778593D+01  0.252816D+01 -0.412220D+02  0.327306D+01  0.467383D+01
      4   0.376946D+01 -0.138381D+01 -0.137359D+02  0.145628D+02 -0.238675D+01
      5  -0.640321D+01 -0.926276D+01  0.747665D+01 -0.299307D+01 -0.662727D-01
      6   0.931603D+00  0.138991D+01 -0.293145D+01 -0.334438D+01 -0.984406D+00
                16            17            18            19            20 
      1  -0.261105D+02  0.622325D+01 -0.913853D+01  0.626552D+02 -0.592908D+02
      2   0.133736D+02 -0.498468D+01  0.528789D+00 -0.335918D+02  0.423774D+02
      3   0.127369D+02 -0.123857D+01  0.860974D+01 -0.290633D+02  0.169134D+02
      4   0.651846D+01 -0.213567D+01  0.380917D+01 -0.553965D+02  0.589552D+01
      5  -0.308554D+01  0.413532D+01  0.684646D+00  0.213881D+02 -0.206350D+01
      6   0.504873D+01  0.579122D+01  0.175338D+01 -0.325077D+01 -0.116955D+01
                21            22            23            24            25 
      1   0.104952D+02  0.116393D+01  0.381489D+02 -0.839051D+01 -0.400728D+01
      2  -0.753990D+01 -0.135070D+02 -0.372540D+02  0.960132D+01  0.676599D+01
      3  -0.295530D+01  0.123431D+02 -0.894865D+00 -0.121081D+01 -0.275871D+01
      4  -0.598313D+00  0.275516D+02 -0.655664D+01  0.500289D+01 -0.546732D+01
      5  -0.537362D+01 -0.114560D+02  0.682318D+01  0.787553D+01  0.452620D+01
      6   0.150076D+01  0.100538D+02  0.906755D+01  0.152296D+01  0.165830D+01
                26            27            28            29            30 
      1  -0.542607D+01 -0.619013D+01 -0.199078D+01  0.967775D+01  0.146081D+01
      2   0.885888D+01 -0.841288D+01 -0.171663D+02 -0.107510D+02  0.655098D+00
      3  -0.343281D+01  0.146030D+02  0.191570D+02  0.107321D+01 -0.211591D+01
      4   0.672133D+01  0.257838D+01  0.260436D+02  0.121292D+02  0.667849D+00
      5   0.936916D+01 -0.329980D+01 -0.234353D+02  0.367763D+01  0.114987D+02
      6   0.340319D+01  0.946211D+00  0.129001D+02 -0.329600D+00 -0.309070D+01
                31            32            33            34            35 
      1   0.271804D+02 -0.756496D+02  0.135631D+02 -0.105752D+02  0.167297D+02
      2  -0.199864D+02  0.700267D+02 -0.176133D+02  0.450013D+01 -0.168133D+02
      3  -0.719407D+01  0.562292D+01  0.405014D+01  0.607512D+01  0.836166D-01
      4  -0.421044D+02  0.603901D+01  0.177640D+01  0.210548D+02  0.694154D+00
      5   0.156639D+02  0.507967D+00 -0.130235D+01  0.336358D+02 -0.536255D+01
      6   0.155067D+01 -0.100275D+02 -0.188950D+00 -0.623369D+01  0.723742D+01
                36            37            38            39            40 
      1  -0.260203D+01 -0.558416D+01  0.782072D+02 -0.187172D+02 -0.189857D+02
      2  -0.494647D+01  0.161067D+01 -0.651807D+02  0.959446D+01  0.237120D+02
      3   0.754850D+01  0.397350D+01 -0.130265D+02  0.912270D+01 -0.472631D+01
      4   0.281349D+01 -0.884356D+00 -0.241120D+02  0.439746D+01  0.990967D+01
      5  -0.412071D+00  0.185292D+01  0.168239D+00  0.491904D+01  0.770007D+01
      6   0.536612D+01 -0.396335D+01  0.652071D+01 -0.163909D+02 -0.150636D+02
                41            42            43            44            45 
      1   0.337965D+02 -0.119711D+02  0.748351D+01 -0.177381D+02 -0.108458D+02
      2  -0.347722D+02  0.104325D+02 -0.145275D+02  0.201563D+02  0.146638D+01
      3   0.975682D+00  0.153855D+01  0.704394D+01 -0.241823D+01  0.937946D+01
      4   0.674439D+01 -0.793160D+01  0.573864D+01 -0.582801D+01 -0.888297D+01
      5  -0.896185D+01 -0.682958D+01  0.220762D+02 -0.720475D+01  0.470634D+01
      6   0.111811D+02  0.275135D+01 -0.196975D+02  0.135364D+02  0.805206D+00
                46            47            48            49            50 
      1   0.480547D+01 -0.521204D+02  0.101245D+02  0.289662D+02 -0.892961D+01
      2  -0.572693D+01  0.459900D+02 -0.353569D+01 -0.238922D+02  0.243831D+00
      3   0.921454D+00  0.613039D+01 -0.658876D+01 -0.507401D+01  0.868578D+01
      4   0.162845D+02 -0.396589D+01  0.137618D+01 -0.533716D+01 -0.110760D+02
      5  -0.330027D+01  0.555657D+01 -0.234132D+01  0.171853D+01  0.297695D+01
      6   0.483816D+01 -0.122359D+01  0.125050D+02  0.450355D+01  0.143615D+02
                51            52            53            54            55 
      1  -0.650120D+01 -0.748817D+01 -0.210217D+01 -0.253858D+02  0.102936D+02
      2   0.965607D+01  0.820727D+01  0.138595D+02  0.110615D+02 -0.662440D+01
      3  -0.315487D+01 -0.719103D+00 -0.117574D+02  0.143243D+02 -0.366915D+01
      4   0.585691D+01  0.264291D+01  0.742855D+01  0.564757D+01 -0.373512D+02
      5   0.484166D+00  0.456209D+01  0.443026D+00  0.846744D-01  0.725247D+01
      6   0.520275D+01  0.205672D+01  0.240519D+02 -0.928660D+01  0.249105D+01
                56            57            58            59            60 
      1  -0.552575D+02  0.105457D+02  0.741304D+00  0.215174D+02 -0.109638D+02
      2   0.348975D+02 -0.178398D+01 -0.599080D+01 -0.174026D+02  0.102732D+02
      3   0.203600D+02 -0.876170D+01  0.524950D+01 -0.411479D+01  0.690598D+00
      4  -0.300101D+02  0.638421D+01  0.329506D+02 -0.191138D+02  0.352911D+00
      5   0.738530D+01 -0.156086D+02 -0.902145D+01  0.115301D+01 -0.608793D+00
      6   0.369758D+00  0.101079D+02  0.341909D+01  0.110854D+02  0.351773D+01
                61            62            63            64            65 
      1  -0.201034D+01 -0.757248D+01 -0.215396D+02  0.292046D+01 -0.944249D+00
      2   0.261576D+01  0.149545D+02  0.358625D+01 -0.750147D+00  0.172057D+01
      3  -0.605418D+00 -0.738199D+01  0.179534D+02 -0.217031D+01 -0.776323D+00
      4  -0.609178D+01  0.253086D+01 -0.104144D+02  0.697673D+01  0.926250D+01
      5   0.108385D+01 -0.125007D+02  0.960502D+01 -0.219505D+01 -0.235092D+01
      6  -0.257432D+00  0.166966D+02 -0.612999D+01 -0.151229D+01 -0.121602D+01
                66            67            68            69            70 
      1   0.160359D+00 -0.461040D+01 -0.166682D+02  0.440852D+01  0.536868D+00
      2   0.164236D+00  0.588974D+01  0.181037D+02 -0.216772D+01 -0.392050D-01
      3  -0.324595D+00 -0.127934D+01 -0.143548D+01 -0.224080D+01 -0.497663D+00
      4  -0.180422D+01  0.121376D+02  0.172145D+02 -0.379621D+01 -0.332558D+01
      5   0.271100D+01 -0.352381D+01 -0.396143D+01  0.360521D+01  0.165445D+01
      6   0.102216D+01 -0.306702D+01 -0.684275D+01  0.520687D+01  0.216707D+01
                71            72            73            74            75 
      1   0.297286D+01 -0.372092D+01  0.216277D+01  0.545548D+01 -0.103016D+01
      2  -0.245865D+01  0.267094D+01  0.104351D+02 -0.162279D+02  0.205890D+01
      3  -0.514207D+00  0.104999D+01 -0.125978D+02  0.107724D+02 -0.102873D+01
      4  -0.437255D+01  0.237114D+01 -0.293226D+02  0.259174D+02 -0.393252D+01
      5   0.702617D+00 -0.153764D+01  0.429169D+01 -0.406893D+01  0.396700D+01
      6   0.341472D+01 -0.268577D+01 -0.276683D+01  0.324298D+01 -0.335489D+01
                76            77            78            79            80 
      1   0.110383D+02 -0.224747D+02  0.396077D+01 -0.289301D+01  0.468721D+01
      2  -0.232441D+02  0.394252D+02 -0.506855D+01  0.596611D+01 -0.709390D+01
      3   0.122058D+02 -0.169505D+02  0.110777D+01 -0.307310D+01  0.240669D+01
      4   0.284588D+02 -0.358033D+02  0.587596D+01 -0.533838D+01  0.630593D+01
      5  -0.555059D+01  0.600123D+01 -0.431542D+01  0.497338D+00 -0.283066D+01
      6   0.627100D+01 -0.748200D+01  0.653050D+01  0.928964D+00  0.367538D+01
                81            82            83            84            85 
      1  -0.114661D+01 -0.722580D+01 -0.115441D+02  0.330614D+01 -0.877355D+01
      2   0.238962D+01  0.100884D+02  0.170622D+02 -0.359459D+01  0.115173D+02
      3  -0.124301D+01 -0.286258D+01 -0.551812D+01  0.288450D+00 -0.274380D+01
      4  -0.282130D+01  0.858959D+01  0.174297D+02 -0.389372D+01  0.941328D+01
      5   0.159240D+01 -0.145536D+01 -0.262434D+01  0.290677D+01 -0.167811D+01
      6  -0.249082D+01 -0.317468D+01 -0.523048D+01  0.338227D+01 -0.323381D+01
                86            87            88            89            90 
      1  -0.513383D+02  0.125771D+02  0.241177D+01  0.132808D+02 -0.395011D+01
      2   0.696763D+02 -0.137908D+02 -0.342574D+01 -0.167096D+02  0.446600D+01
      3  -0.183380D+02  0.121366D+01  0.101397D+01  0.342879D+01 -0.515894D+00
      4   0.231717D+02 -0.502590D+01 -0.344349D+01 -0.548590D+01  0.270407D+01
      5  -0.246188D+01  0.188646D+01  0.621587D+00  0.267547D+01 -0.142231D+01
      6  -0.181529D+02  0.111677D+02  0.748328D+00  0.643137D+01 -0.404682D+01
                91            92            93            94            95 
      1  -0.372173D+01  0.490202D+01 -0.161894D+02 -0.174919D+01 -0.886472D+01
      2   0.932339D+01  0.142186D+00  0.358079D+00  0.861653D+01 -0.348462D+01
      3  -0.560166D+01 -0.504420D+01  0.158314D+02 -0.686734D+01  0.123493D+02
      4  -0.965238D+01 -0.186569D+02 -0.349568D+01 -0.254177D+02  0.306014D+02
      5   0.327020D+01 -0.522170D+01 -0.220089D+02  0.963468D+00 -0.185595D+02
      6  -0.576615D+01  0.111490D+01  0.921224D+00 -0.605113D+01  0.398258D+01
                96            97            98            99           100 
      1  -0.177791D+01 -0.225387D+00 -0.303514D+01 -0.200067D+02 -0.823529D+02
      2   0.142320D+01 -0.181111D+02  0.808574D+01  0.206838D+02  0.484230D+02
      3   0.354710D+00  0.183365D+02 -0.505060D+01 -0.677168D+00  0.339299D+02
      4  -0.212757D+02 -0.885029D+01 -0.216551D+02 -0.451786D+01  0.316997D+01
      5  -0.435048D+01 -0.706825D+02  0.358155D+01  0.211193D+02  0.459069D+02
      6   0.416382D+01  0.226429D+01 -0.245537D+01 -0.197481D+01 -0.341702D+00
               101           102           103           104           105 
      1  -0.967639D+00  0.321445D+02 -0.872123D+01  0.348448D+02  0.687288D+01
      2   0.274286D+00 -0.989131D+01  0.187129D+01 -0.746209D+01 -0.214824D+01
      3   0.693353D+00 -0.222532D+02  0.684994D+01 -0.273827D+02 -0.472464D+01
      4   0.212397D+02  0.870177D+00  0.209718D+02 -0.338085D+01  0.267454D+02
      5   0.259413D+01  0.892029D+01  0.519171D+01  0.175943D+02  0.426996D+01
      6  -0.126120D+02 -0.126435D+01 -0.676347D+01 -0.237072D+01 -0.214426D+02
               106           107           108           109           110 
      1   0.565394D+01  0.482636D+01  0.177762D+02 -0.633503D+02 -0.258761D+02
      2   0.178995D+02 -0.404599D+01 -0.241817D+02  0.202926D+02  0.213873D+01
      3  -0.235534D+02 -0.780369D+00  0.640549D+01  0.430577D+02  0.237373D+02
      4  -0.543174D+00  0.218583D+02  0.185721D+01 -0.475129D+02 -0.288971D+02
      5   0.441013D+02 -0.166403D+01 -0.333761D+02  0.806890D+01  0.132210D+01
      6  -0.302622D+01 -0.150675D+02 -0.416164D+01  0.805756D+00  0.362727D+01
               111           112           113           114           115 
      1   0.443068D+01 -0.346469D+02 -0.158655D+02  0.118246D+02  0.417151D+02
      2  -0.308087D+01  0.650811D+01  0.223191D+01  0.385659D+00 -0.163122D+02
      3  -0.134981D+01  0.281388D+02  0.136336D+02 -0.122103D+02 -0.254030D+02
      4   0.429387D+01 -0.153312D+02 -0.255546D+02  0.129781D+02  0.288765D+02
      5   0.165597D+01 -0.365941D-01  0.959415D+01 -0.509803D+01  0.246957D+02
      6  -0.397595D+01  0.538218D+01 -0.150970D+01 -0.872240D+00  0.474261D+01
               116           117           118           119           120 
      1   0.102312D+02  0.230088D+02  0.149965D+02 -0.123905D+02  0.661319D+01
      2  -0.142016D+01 -0.272594D+01 -0.151690D+01  0.222854D+01 -0.172277D+01
      3  -0.881108D+01 -0.202828D+02 -0.134796D+02  0.101619D+02 -0.489042D+01
      4   0.228893D+02  0.667857D+01 -0.248150D+02  0.236756D+02 -0.236116D+01
      5   0.291745D+01  0.435931D-01  0.828441D+01 -0.193971D+01  0.115541D+02
      6  -0.213629D+00 -0.210829D+01 -0.226987D+01  0.122549D+01 -0.927503D+00
               121           122           123           124           125 
      1  -0.198376D+02  0.423165D+01 -0.154609D+01  0.883918D+01  0.287478D+00
      2   0.517237D+01  0.119560D+02 -0.269298D+01 -0.313549D+01 -0.352474D+01
      3   0.146652D+02 -0.161876D+02  0.423907D+01 -0.570369D+01  0.323726D+01
      4   0.243119D+02 -0.450276D+02  0.104375D+02 -0.447497D+01  0.143251D+02
      5  -0.278016D+01  0.956961D+01 -0.108266D+02  0.142268D+02 -0.925095D+01
      6   0.135413D+01 -0.365039D+01  0.423258D+01 -0.274957D+01  0.639877D+01
               126           127           128           129           130 
      1   0.400839D+01 -0.145392D+01  0.800663D+01 -0.112814D+02  0.108849D+02
      2  -0.213922D+01  0.341369D+00 -0.307251D+01 -0.115192D-02 -0.660430D+01
      3  -0.186917D+01  0.111255D+01 -0.493412D+01  0.112826D+02 -0.428059D+01
      4  -0.982168D+01  0.394919D+01 -0.639317D+01  0.259051D+01 -0.487112D+00
      5   0.563146D+01 -0.619688D+00 -0.277428D+00 -0.604553D+01 -0.832132D+01
      6  -0.335835D+01 -0.366627D+01  0.583497D+01 -0.299668D+01  0.121319D+01
               131           132           133           134           135 
      1  -0.175769D+02  0.114004D+02 -0.509350D+01  0.696237D+01 -0.143690D+02
      2   0.562558D+01  0.298238D+01  0.129000D+01  0.163938D+01 -0.198596D+01
      3   0.119513D+02 -0.143827D+02  0.380351D+01 -0.860176D+01  0.163550D+02
      4   0.230038D+02 -0.154264D+02 -0.579182D-01 -0.110460D+02  0.872179D+01
      5  -0.110111D+02  0.163607D+02  0.222313D+01  0.641073D+01 -0.108497D+02
      6  -0.169693D+02  0.138673D+02 -0.263121D+00  0.111684D+02 -0.820970D+01
               136           137           138           139           140 
      1   0.118255D+03 -0.173158D+01 -0.224788D+02  0.234102D+01  0.600773D+01
      2  -0.724929D+02  0.908578D+00  0.207393D+02 -0.249136D+01 -0.423530D+01
      3  -0.457616D+02  0.823006D+00  0.173942D+01  0.150338D+00 -0.177244D+01
      4  -0.606963D+01  0.113881D+02  0.261951D+01  0.146872D+02  0.111710D+00
      5  -0.711513D+02  0.226014D+01  0.324373D+02 -0.225637D+01 -0.691345D+01
      6   0.349101D+01 -0.399124D+01 -0.182360D+01 -0.429004D+01  0.461217D-02
               141           142           143           144           145 
      1  -0.800782D+00 -0.862243D+01 -0.146460D+01  0.905078D+01  0.122284D+01
      2   0.140790D+01  0.950213D+01  0.532750D+00 -0.768752D+01 -0.152221D+01
      3  -0.607122D+00 -0.879699D+00  0.931852D+00 -0.136326D+01  0.299377D+00
      4  -0.573327D+01 -0.797949D+00 -0.387580D+01  0.451254D+00 -0.356945D+01
      5   0.197030D+01  0.192231D+02  0.119421D+01 -0.893810D+01 -0.406675D+01
      6   0.426695D+01 -0.201027D-01  0.297385D+01  0.524729D+00  0.399193D+01
               146           147           148           149           150 
      1  -0.948339D+01 -0.137074D+02 -0.776545D+01 -0.209635D+02 -0.164962D+02
      2   0.374801D+01  0.196607D+01  0.526681D+01  0.951498D+01  0.215423D+00
      3   0.573538D+01  0.117414D+02  0.249864D+01  0.114485D+02  0.162807D+02
      4  -0.476940D+01 -0.272296D+01  0.377263D+01 -0.264034D+02 -0.214806D+02
      5  -0.307095D+00 -0.464878D+01  0.827581D+01 -0.170570D+02 -0.219310D+02
      6   0.662460D+01  0.513142D+01 -0.609973D+00  0.224385D+02  0.207572D+02
               151           152           153           154           155 
      1  -0.465000D+01 -0.116888D+02 -0.205999D+02  0.147849D+03  0.393618D+02
      2   0.222562D+01 -0.251193D+00 -0.237175D+01 -0.615858D+02 -0.935144D+01
      3   0.242438D+01  0.119400D+02  0.229716D+02 -0.862632D+02 -0.300103D+02
      4   0.281280D+01 -0.150640D+02 -0.148969D+02  0.736934D+02  0.482770D+02
      5   0.421067D+01 -0.129449D+02 -0.200087D+02  0.340419D+01  0.345287D+01
      6  -0.184017D+00  0.158069D+02  0.165976D+02 -0.156374D+01 -0.687892D+00
               156           157           158           159           160 
      1  -0.855418D+01  0.497369D+02  0.318677D+02 -0.525471D+01 -0.128378D+02
      2   0.102666D+01 -0.686942D+01  0.509359D+01 -0.146551D+01  0.259091D+01
      3   0.752752D+01 -0.428674D+02 -0.369613D+02  0.672022D+01  0.102469D+02
      4  -0.593519D+00  0.696711D+02  0.635708D+02 -0.846154D+01 -0.103218D+02
      5   0.278380D+02 -0.161448D+01 -0.356926D+01  0.167735D+02  0.276903D+02
      6   0.713038D+01  0.910018D+00  0.750675D+00  0.809522D+01  0.905411D+01
               161           162           163           164           165 
      1  -0.400747D+01  0.150265D+02  0.417695D+02  0.167933D+02  0.957020D+01
      2  -0.236735D+01 -0.737512D+01 -0.245080D+02 -0.542036D+01 -0.866351D+01
      3   0.637482D+01 -0.765134D+01 -0.172615D+02 -0.113730D+02 -0.906687D+00
      4  -0.145865D+02  0.140197D+02  0.349520D+02  0.159778D+02  0.245820D+01
      5   0.126250D+02 -0.126728D+02  0.242749D+02  0.344577D+01  0.174938D+02
      6   0.701780D+01 -0.260598D+01  0.123485D+02  0.213868D+01  0.120202D+01
               166           167           168           169           170 
      1   0.217359D+02 -0.353630D+01 -0.126316D+02 -0.134924D+02 -0.104034D+02
      2  -0.102247D+02  0.362760D+01  0.279091D+01  0.739737D+00  0.238588D+01
      3  -0.115112D+02 -0.913025D-01  0.984071D+01  0.127527D+02  0.801752D+01
      4   0.206512D+02  0.118035D+02  0.115394D+02 -0.900203D+01  0.316500D+00
      5   0.129160D+02  0.131187D+02  0.139716D+02  0.147025D+02  0.665601D+01
      6   0.465203D+01  0.937022D+01  0.132964D+02  0.511378D+00  0.100191D+02
               171           172           173           174           175 
      1  -0.273429D+02 -0.399433D+02 -0.928034D+01  0.113794D+02 -0.218350D+02
      2  -0.144063D+02  0.195459D+02  0.316434D+01  0.252903D+01  0.128819D+02
      3   0.417493D+02  0.203975D+02  0.611600D+01 -0.139084D+02  0.895310D+01
      4   0.433897D+01 -0.272245D+02 -0.115216D+02 -0.183831D+01 -0.192164D+02
      5   0.449807D+02 -0.166624D+02 -0.552282D+01 -0.136602D+02 -0.125618D+02
      6   0.134534D+02 -0.872247D+01 -0.507162D+01 -0.412983D+01 -0.582591D+01
               176           177           178           179           180 
      1  -0.111025D+02  0.384831D+01  0.190204D+01  0.132050D+01 -0.121393D+02
      2   0.513790D+01  0.360427D+01  0.479677D+01  0.506747D+00  0.185775D+01
      3   0.596459D+01 -0.745258D+01 -0.669881D+01 -0.182725D+01  0.102815D+02
      4  -0.718892D+01  0.707206D+00 -0.608361D+01 -0.622831D+00 -0.509380D+01
      5  -0.312338D+00 -0.107529D+02 -0.613789D+01 -0.203762D+01  0.379192D+01
      6  -0.304303D+01  0.120224D+01 -0.315107D+01  0.171854D+01 -0.168010D+01
               181           182           183           184           185 
      1  -0.409595D+01  0.611851D+02 -0.135459D+02 -0.819311D+02  0.295082D+02
      2  -0.924426D-01 -0.405554D+02  0.288664D+01  0.520478D+02 -0.227869D+02
      3   0.418839D+01 -0.206297D+02  0.106592D+02  0.298833D+02 -0.672134D+01
      4   0.303980D+02  0.378486D+02 -0.924570D+01  0.335815D+02  0.186418D+02
      5  -0.359801D+01 -0.113973D+02  0.195950D+02 -0.121129D+01 -0.131356D+02
      6  -0.262558D+01  0.454942D+01 -0.127746D+02 -0.103748D+02  0.878532D+01
               186           187           188           189           190 
      1  -0.376426D+01  0.224711D+02 -0.131370D+02  0.117145D+01  0.119249D+03
      2   0.434823D+01 -0.224350D+02  0.132475D+02 -0.776957D+01 -0.679738D+02
      3  -0.583973D+00 -0.360281D-01 -0.110566D+00  0.659812D+01 -0.512749D+02
      4  -0.133583D+02 -0.587952D+01 -0.153504D+02 -0.130264D+02 -0.205636D+02
      5  -0.785345D+01  0.276908D+02 -0.149326D+02  0.934357D+01  0.109251D+02
      6   0.475894D+01 -0.139547D+02  0.978219D+01  0.143507D+01  0.172387D+01
               191           192           193           194           195 
      1  -0.426197D+02  0.528392D+01  0.462317D+01 -0.182748D+02  0.109003D+02
      2   0.285794D+02 -0.310772D+01 -0.633846D+01  0.212483D+02 -0.134301D+02
      3   0.140403D+02 -0.217620D+01  0.171529D+01 -0.297355D+01  0.252977D+01
      4   0.327256D+02 -0.523904D+01 -0.193372D+02 -0.586739D+02  0.142350D+02
      5  -0.652658D+01  0.721391D+01  0.170041D+02  0.139414D+02 -0.442510D+01
      6  -0.330298D-01  0.545035D+01  0.526013D+01 -0.901889D+01 -0.233393D+01
               196           197           198           199           200 
      1  -0.169242D+01  0.128552D+02  0.247202D+02 -0.114688D+03  0.258898D+02
      2   0.207040D+01 -0.106019D+02 -0.213759D+02  0.560604D+02 -0.146832D+02
      3  -0.377984D+00 -0.225336D+01 -0.334433D+01  0.586272D+02 -0.112066D+02
      4   0.192442D+02  0.880771D+01 -0.717900D+01  0.320968D+02 -0.341122D+02
      5   0.517640D+02 -0.134085D+02  0.173079D+01 -0.843487D+01  0.142149D+02
      6  -0.224826D+01  0.726028D+01  0.418515D+01  0.668882D+01 -0.141846D+00
               201           202           203           204           205 
      1   0.193784D-02  0.942467D+02 -0.194990D+02 -0.341702D+01 -0.157809D+02
      2   0.613262D+00 -0.597861D+02  0.227748D+01  0.562676D+01  0.136148D+02
      3  -0.615200D+00 -0.344605D+02  0.172215D+02 -0.220974D+01  0.216611D+01
      4   0.996555D+01 -0.169578D+02  0.299280D+02  0.378361D+01  0.622833D+01
      5   0.240689D+01  0.595528D+01  0.274796D+01  0.997495D+01  0.698240D+01
      6   0.267082D-02  0.638310D+01  0.114788D+02  0.400615D+01  0.368074D+01
               206           207           208           209           210 
      1   0.189322D+01 -0.146838D+02  0.176642D+02  0.354384D+02 -0.688278D+01
      2   0.669078D+01 -0.267772D+01 -0.116078D+02 -0.222783D+02  0.320976D+01
      3  -0.858400D+01  0.173615D+02 -0.605636D+01 -0.131601D+02  0.367301D+01
      4   0.968831D+01  0.245353D+02  0.270177D+02  0.122292D+01  0.435517D+01
      5   0.253521D+02 -0.147915D+02 -0.940294D+01  0.510713D+01  0.255147D+02
      6   0.120224D+02 -0.135319D+01  0.110288D+01 -0.122510D+01 -0.677270D+01
               211           212           213           214           215 
      1  -0.937566D+00  0.145141D+02 -0.486541D+01  0.274649D+00 -0.507590D+01
      2   0.334446D+01 -0.564221D+01  0.635476D+01  0.141241D+01  0.430455D+01
      3  -0.240690D+01 -0.887193D+01 -0.148935D+01 -0.168706D+01  0.771344D+00
      4   0.414780D+02  0.814963D+01 -0.569658D+01 -0.936549D+01  0.104184D+01
      5  -0.101042D+02 -0.449566D+01 -0.137363D+02  0.995222D+01  0.552392D+01
      6  -0.139551D+01  0.224573D+01  0.867972D+01  0.308873D+01  0.228887D+01
               216           217           218           219           220 
      1   0.247582D+01 -0.675268D+02 -0.474775D+02  0.155902D+02 -0.432421D+02
      2  -0.165196D+01  0.413938D+02  0.237486D+02 -0.813295D+01  0.210653D+02
      3  -0.823862D+00  0.261330D+02  0.237289D+02 -0.745728D+01  0.221768D+02
      4   0.750695D+01 -0.461677D+02  0.164443D+02  0.154799D+01 -0.252680D+02
      5  -0.186366D+01  0.154865D+02  0.168039D+01 -0.648756D+01  0.714138D+01
      6  -0.329917D+01 -0.131258D+01 -0.103838D+01  0.183136D+01  0.369982D+01
               221           222           223           224           225 
      1   0.582376D+01  0.104497D+02  0.117189D+02  0.854711D+01 -0.291279D+01
      2  -0.743951D+01 -0.132198D+02  0.477252D-01 -0.111704D+02  0.978905D+00
      3   0.161574D+01  0.277006D+01 -0.117666D+02  0.262334D+01  0.193389D+01
      4   0.339346D+02  0.241041D+02  0.643369D+01  0.168199D+02  0.455632D+02
      5   0.242077D+02  0.706282D+02 -0.338447D+02  0.497986D+02 -0.430689D+02
      6  -0.977588D+01 -0.202014D+02  0.141077D+02 -0.158096D+02  0.833572D+01
               226           227           228           229           230 
      1  -0.657642D+01 -0.163860D+02  0.463248D+01 -0.723035D+01 -0.462050D+02
      2   0.675574D+01  0.152020D+02 -0.328291D+01  0.685036D+01  0.520451D+02
      3  -0.179320D+00  0.118401D+01 -0.134958D+01  0.379994D+00 -0.584004D+01
      4  -0.178694D+00  0.567282D+01 -0.859004D+00  0.237841D+01 -0.969829D+01
      5   0.396259D+00 -0.594504D+00  0.140390D+01  0.128846D+00  0.399616D+01
      6  -0.235419D+01 -0.443638D+01  0.264340D+01 -0.181608D+01 -0.155705D+02
               231           232           233           234           235 
      1   0.116699D+02  0.229358D+01  0.121877D+02 -0.393107D+01  0.338551D+02
      2  -0.990513D+01 -0.185767D+01 -0.123734D+02  0.358474D+01 -0.111909D+02
      3  -0.176475D+01 -0.435916D+00  0.185752D+00  0.346331D+00 -0.226642D+02
      4   0.276385D+01  0.175681D-01  0.269158D+01  0.114316D+01 -0.308926D+02
      5  -0.236258D+01  0.175953D+01 -0.921524D-01 -0.332684D+00  0.574404D+01
      6   0.930029D+01  0.778993D+00  0.553545D+01 -0.349881D+01 -0.206745D+01
               236           237           238           239           240 
      1  -0.130332D+02  0.117959D+01 -0.152103D+02  0.416474D+01 -0.865136D+00
      2   0.977754D-01  0.106684D+00 -0.386715D+01  0.153302D+02 -0.101276D+01
      3   0.129354D+02 -0.128628D+01  0.190774D+02 -0.194949D+02  0.187789D+01
      4   0.251944D+02 -0.382083D+01  0.375969D+02 -0.429764D+02  0.708052D+01
      5  -0.491618D+01  0.332476D+01 -0.910128D+01  0.908949D+01 -0.581955D+01
      6   0.237248D+01 -0.174029D+01  0.577363D+01 -0.674629D+01  0.509866D+01
               241           242           243           244           245 
      1   0.114050D+01 -0.603614D+00 -0.146980D+01  0.506529D+01  0.859152D+01
      2   0.270520D+01 -0.285925D+01  0.168001D+01  0.260443D+01  0.827142D+00
      3  -0.384569D+01  0.346286D+01 -0.210211D+00 -0.766972D+01 -0.941866D+01
      4  -0.765052D+01  0.838548D+01 -0.264226D+01  0.252695D+02  0.238960D+02
      5  -0.559085D+00 -0.227609D+01  0.170442D+01 -0.596156D+01 -0.514626D+01
      6   0.201720D+00  0.230209D+01 -0.178622D+01 -0.306245D+01 -0.280667D+01
               246           247           248           249           250 
      1  -0.209956D+01  0.602935D+01 -0.883544D+01  0.198469D+01 -0.168307D+01
      2   0.669612D+00  0.689245D+01  0.240761D+02 -0.324187D+01 -0.646226D+00
      3   0.142995D+01 -0.129218D+02 -0.152407D+02  0.125719D+01  0.232930D+01
      4  -0.621744D+01  0.316055D+02  0.513758D+02 -0.123802D+02 -0.862129D+01
      5   0.519212D+01 -0.695960D+01 -0.105024D+02  0.812951D+01  0.397278D+01
      6   0.267267D+01 -0.502637D+01 -0.905608D+01  0.733997D+01  0.333848D+01
               251           252           253           254           255 
      1   0.134068D+01 -0.135586D+01  0.282452D+01 -0.586329D+01 -0.111829D+02
      2  -0.428804D+01  0.256840D+01 -0.665427D+00  0.321593D+01  0.554068D+01
      3   0.294736D+01 -0.121253D+01 -0.215910D+01  0.264736D+01  0.564218D+01
      4  -0.135402D+02  0.450887D+01 -0.268862D+01 -0.780149D+00  0.185910D+01
      5   0.263208D+01 -0.268338D+01 -0.999371D+01  0.101790D+01 -0.340099D+01
      6   0.422358D+01 -0.352684D+01  0.251029D+01  0.997207D+00  0.214503D+01
               256           257           258           259           260 
      1  -0.213374D+02  0.379559D+01  0.128660D+01 -0.304317D+02  0.322049D+01
      2   0.561224D+01  0.110934D+02  0.443498D+01  0.134644D+02  0.264959D+01
      3   0.157252D+02 -0.148890D+02 -0.572158D+01  0.169673D+02 -0.587008D+01
      4   0.376228D+02 -0.572253D+02 -0.316245D+02  0.235517D+02 -0.337775D+02
      5   0.183249D+02 -0.325477D+02 -0.328397D+02  0.283668D+02 -0.335299D+02
      6  -0.901739D+01  0.149854D+02  0.131662D+02 -0.105926D+02  0.144781D+02
               261           262           263           264           265 
      1   0.209356D+01  0.118283D+02 -0.179055D+01  0.129449D+02 -0.776764D+01
      2  -0.252973D+01 -0.733041D+01  0.107847D+01 -0.559776D+01  0.307450D+01
      3   0.436173D+00 -0.449786D+01  0.712080D+00 -0.734714D+01  0.469313D+01
      4  -0.310839D+02 -0.114400D+01 -0.552795D+00 -0.566282D+01  0.208866D+02
      5  -0.328282D+02  0.143221D+02 -0.490073D+01  0.389575D+01 -0.159087D+02
      6   0.126815D+02 -0.323306D+01  0.105205D+01  0.279966D+00  0.499523D+01
               266           267           268           269           270 
      1   0.424218D+01 -0.579945D+01  0.459761D+02 -0.965115D+01  0.127643D+02
      2   0.197231D+00  0.221086D+01 -0.295213D+02  0.575659D+01 -0.170571D+02
      3  -0.443941D+01  0.358859D+01 -0.164548D+02  0.389456D+01  0.429281D+01
      4  -0.210946D+02  0.161583D+02 -0.244176D+02  0.208449D+02 -0.283932D+02
      5   0.170116D+02 -0.280349D+02  0.509349D+02 -0.322784D+02  0.782941D+02
      6  -0.602297D+01  0.110796D+02 -0.120226D+02  0.118273D+02 -0.171183D+02
               271           272           273           274           275 
      1   0.203885D+03  0.188790D+02 -0.145417D+02  0.618930D+02  0.192577D+02
      2  -0.108245D+03 -0.110059D+02  0.827648D+01 -0.336557D+02 -0.966554D+01
      3  -0.956404D+02 -0.787305D+01  0.626522D+01 -0.282374D+02 -0.959218D+01
      4   0.162495D+02  0.149258D+02 -0.775598D+00  0.236658D+02  0.137394D+02
      5  -0.155281D+02 -0.899003D+00  0.178756D+02 -0.371078D+01 -0.439090D+01
      6   0.229425D+01  0.656167D-01 -0.109332D+01  0.187361D+00  0.572655D+00
               276           277           278           279 
      1  -0.430697D+01 -0.243952D+02 -0.229157D+01  0.177537D+02
      2   0.294201D+01  0.138115D+02  0.218367D+01 -0.106175D+02
      3   0.136495D+01  0.105836D+02  0.107904D+00 -0.713621D+01
      4  -0.437782D+01 -0.116787D+01 -0.522256D+01 -0.131112D+01
      5   0.470589D+01  0.258571D+02 -0.147429D+01 -0.359715D+01
      6   0.140103D+01 -0.110109D+01  0.251257D+01 -0.200000D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.210330D+01      0.534607D+01      0.178326D+02
   x          0.199435D+01      0.506914D+01      0.169088D+02
   y          0.571605D+00      0.145287D+01      0.484627D+01
   z          0.345983D+00      0.879402D+00      0.293337D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183454D+03      0.271851D+02      0.302475D+02
   aniso      0.146367D+03      0.216893D+02      0.241326D+02
   xx         0.274146D+03      0.406242D+02      0.452006D+02
   yx        -0.138067D+02     -0.204594D+01     -0.227641D+01
   yy         0.162745D+03      0.241164D+02      0.268331D+02
   zx        -0.823187D+01     -0.121984D+01     -0.135725D+01
   zy        -0.103439D+02     -0.153281D+01     -0.170548D+01
   zz         0.113472D+03      0.168148D+02      0.187090D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.207100D+03      0.306890D+02      0.341461D+02
   aniso      0.173434D+03      0.257003D+02      0.285954D+02
   xx         0.314439D+03      0.465951D+02      0.518440D+02
   yx        -0.194908D+02     -0.288824D+01     -0.321360D+01
   yy         0.181784D+03      0.269376D+02      0.299721D+02
   zx        -0.812807D+01     -0.120446D+01     -0.134014D+01
   zy        -0.116289D+02     -0.172322D+01     -0.191734D+01
   zz         0.125076D+03      0.185344D+02      0.206223D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.02064422         -0.90707113          0.92433595
     6          0.29799910          1.29262756          2.45517971
     6         -0.79111718         -0.63076508         -1.61612003
     6         -1.23436076          1.70799721         -2.66022976
     6         -0.90596916          3.87883470         -1.12724036
     6         -0.16883850          3.68343637          1.34444199
     6          0.44876481         -3.29199181          2.02312660
     1         -1.02378559         -2.32195680         -2.75048061
     1         -1.25383109          5.72537254         -1.94061820
     1          0.06938850          5.36626651          2.48432395
     6         -2.11526311          1.97671064         -5.37029115
     6         -4.85555211          1.12855166         -5.73618687
     6         -0.36798204          0.67575731         -7.28292117
     1         -1.99150682          3.98402550         -5.86765842
     1         -5.06386510         -0.86953240         -5.27920243
     1         -5.44215984          1.40038669         -7.68833598
     1         -6.09590511          2.20775896         -4.49512796
     8         -1.08109917         -0.25381863         -9.22007182
     8          2.12718921          0.72793364         -6.72331029
     1          2.36097213          1.35135007         -5.01753061
     6          1.19166424         -3.51819408          4.49473538
     6          1.50416040         -1.33181816          6.00282811
     6          1.06302996          1.02301370          4.98795886
     8          2.23511561         -1.40618548          8.46480390
     6          2.71681305         -3.78418175          9.60339744
     1          0.21493645         -4.97201390          0.87784433
     1          1.53446680         -5.37165096          5.27482479
     1          1.31272682          2.67370420          6.16906134
     1          4.25898473         -4.77975437          8.65402108
     1          1.02923267         -4.97702780          9.60823917
     1          3.26449527         -3.37777783         11.54119069

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.210330D+01      0.534607D+01      0.178326D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.210330D+01      0.534607D+01      0.178326D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183454D+03      0.271851D+02      0.302475D+02
   aniso      0.146367D+03      0.216893D+02      0.241326D+02
   xx         0.124841D+03      0.184996D+02      0.205835D+02
   yx        -0.145924D+02     -0.216237D+01     -0.240596D+01
   yy         0.174560D+03      0.258671D+02      0.287810D+02
   zx         0.439368D+02      0.651076D+01      0.724420D+01
   zy        -0.310115D+02     -0.459543D+01     -0.511311D+01
   zz         0.250962D+03      0.371888D+02      0.413781D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.207100D+03      0.306890D+02      0.341461D+02
   aniso      0.173434D+03      0.257003D+02      0.285954D+02
   xx         0.138289D+03      0.204923D+02      0.228008D+02
   yx        -0.179926D+02     -0.266622D+01     -0.296657D+01
   yy         0.197112D+03      0.292091D+02      0.324995D+02
   zx         0.508189D+02      0.753058D+01      0.837890D+01
   zy        -0.399786D+02     -0.592422D+01     -0.659158D+01
   zz         0.285897D+03      0.423656D+02      0.471381D+02

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 COLLEGE PROFESSOR: SOMEONE WHO TALKS IN OTHER PEOPLE'S SLEEP.
 Job cpu time:       0 days 15 hours 58 minutes 47.0 seconds.
 Elapsed time:       0 days  2 hours  0 minutes  9.4 seconds.
 File lengths (MBytes):  RWF=    750 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:57:17 2021.
